naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol

C180H144O63 — CID 159623338

IUPACnaphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol
SMILESOc1cc(O)c2c(O)c(O)ccc2c1.Oc1cc(O)c2c(O)ccc(O)c2c1.Oc1cc(O)c2c(O)cccc2c1.Oc1cc(O)c2c(O)cccc2c1O.Oc1cc(O)c2cc(O)cc(O)c2c1.Oc1cc(O)c2cc(O)ccc2c1.Oc1cc(O)c2cccc(O)c2c1.Oc1cc(O)c2cccc(O)c2c1O.Oc1cc(O)c2cccc(O)c2c1O.Oc1cc(O)c2ccccc2c1O.Oc1ccc(O)c2c(O)ccc(O)c12.Oc1ccc(O)c2c(O)cccc12.Oc1ccc2c(O)c(O)ccc2c1.Oc1ccc2c(O)c(O)ccc2c1O.Oc1ccc2c(O)ccc(O)c2c1.Oc1ccc2c(O)ccc(O)c2c1O.Oc1ccc2c(O)cccc2c1O.Oc1ccc2cccc(O)c2c1O
InChIInChI=1S/9C10H8O4.9C10H8O3/c11-5-1-7-8(10(14)3-5)2-6(12)4-9(7)13;11-7-3-1-5-6(10(7)14)2-4-8(12)9(5)13;11-5-3-6-7(12)1-2-8(13)10(6)9(14)4-5;11-6-3-5-1-2-7(12)10(14)9(5)8(13)4-6;11-6-3-4-7(12)9-5(6)1-2-8(13)10(9)14;11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10;11-6-3-1-2-5-9(6)7(12)4-8(13)10(5)14;2*11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6;11-7-2-3-8-6(5-7)1-4-9(12)10(8)13;11-7-2-1-6-3-8(12)5-10(13)9(6)4-7;11-6-1-2-7-8(5-6)10(13)4-3-9(7)12;11-6-4-8-7(10(13)5-6)2-1-3-9(8)12;11-7-4-6-2-1-3-8(12)10(6)9(13)5-7;11-8-3-1-2-7-6(8)4-5-9(12)10(7)13;11-7-4-5-9(13)10-6(7)2-1-3-8(10)12;11-7-3-1-2-6-4-5-8(12)10(13)9(6)7;11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h9*1-4,11-14H;9*1-5,11-13H
InChIKeyMOEDCJYBRWTZFF-UHFFFAOYSA-N
MW3315.07 g/mol
LogP32.57
Rot. Bonds

About naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol

naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol (PubChem CID 159623338) has the molecular formula C180H144O63 and a molecular weight of 3315.07 g/mol. Its IUPAC name is naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol.

Molecular Properties

Compound Namenaphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol
PubChem CID159623338
Molecular FormulaC180H144O63
Molecular Weight3315.07 g/mol
Exact Mass3312.81
IUPAC Namenaphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol
SMILESOc1cc(O)c2c(O)c(O)ccc2c1.Oc1cc(O)c2c(O)ccc(O)c2c1.Oc1cc(O)c2c(O)cccc2c1.Oc1cc(O)c2c(O)cccc2c1O.Oc1cc(O)c2cc(O)cc(O)c2c1.Oc1cc(O)c2cc(O)ccc2c1.Oc1cc(O)c2cccc(O)c2c1.Oc1cc(O)c2cccc(O)c2c1O.Oc1cc(O)c2cccc(O)c2c1O.Oc1cc(O)c2ccccc2c1O.Oc1ccc(O)c2c(O)ccc(O)c12.Oc1ccc(O)c2c(O)cccc12.Oc1ccc2c(O)c(O)ccc2c1.Oc1ccc2c(O)c(O)ccc2c1O.Oc1ccc2c(O)ccc(O)c2c1.Oc1ccc2c(O)ccc(O)c2c1O.Oc1ccc2c(O)cccc2c1O.Oc1ccc2cccc(O)c2c1O
InChIInChI=1S/9C10H8O4.9C10H8O3/c11-5-1-7-8(10(14)3-5)2-6(12)4-9(7)13;11-7-3-1-5-6(10(7)14)2-4-8(12)9(5)13;11-5-3-6-7(12)1-2-8(13)10(6)9(14)4-5;11-6-3-5-1-2-7(12)10(14)9(5)8(13)4-6;11-6-3-4-7(12)9-5(6)1-2-8(13)10(9)14;11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10;11-6-3-1-2-5-9(6)7(12)4-8(13)10(5)14;2*11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6;11-7-2-3-8-6(5-7)1-4-9(12)10(8)13;11-7-2-1-6-3-8(12)5-10(13)9(6)4-7;11-6-1-2-7-8(5-6)10(13)4-3-9(7)12;11-6-4-8-7(10(13)5-6)2-1-3-9(8)12;11-7-4-6-2-1-3-8(12)10(6)9(13)5-7;11-8-3-1-2-7-6(8)4-5-9(12)10(7)13;11-7-4-5-9(13)10-6(7)2-1-3-8(10)12;11-7-3-1-2-6-4-5-8(12)10(13)9(6)7;11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h9*1-4,11-14H;9*1-5,11-13H
InChIKeyMOEDCJYBRWTZFF-UHFFFAOYSA-N
XLogP32.57
TPSA1274.49 Ų
H-Bond Donors63
H-Bond Acceptors63
Rotatable Bonds
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003315.07
LogP ≤ 532.57
H-Bond Donors ≤ 563
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol?
The IUPAC name of naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol (CID 159623338) is naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol.
What is the SMILES notation for naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol?
The canonical SMILES for naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol is Oc1cc(O)c2c(O)c(O)ccc2c1.Oc1cc(O)c2c(O)ccc(O)c2c1.Oc1cc(O)c2c(O)cccc2c1.Oc1cc(O)c2c(O)cccc2c1O.Oc1cc(O)c2cc(O)cc(O)c2c1.Oc1cc(O)c2cc(O)ccc2c1.Oc1cc(O)c2cccc(O)c2c1.Oc1cc(O)c2cccc(O)c2c1O.Oc1cc(O)c2cccc(O)c2c1O.Oc1cc(O)c2ccccc2c1O.Oc1ccc(O)c2c(O)ccc(O)c12.Oc1ccc(O)c2c(O)cccc12.Oc1ccc2c(O)c(O)ccc2c1.Oc1ccc2c(O)c(O)ccc2c1O.Oc1ccc2c(O)ccc(O)c2c1.Oc1ccc2c(O)ccc(O)c2c1O.Oc1ccc2c(O)cccc2c1O.Oc1ccc2cccc(O)c2c1O.
What is the InChIKey of naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol?
The InChIKey is MOEDCJYBRWTZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/9C10H8O4.9C10H8O3/c11-5-1-7-8(10(14)3-5)2-6(12)4-9(7)13;11-7-3-1-5-6(10(7)14)2-4-8(12)9(5)13;11-5-3-6-7(12)1-2-8(13)10(6)9(14)4-5;11-6-3-5-1-2-7(12)10(14)9(5)8(13)4-6;11-6-3-4-7(12)9-5(6)1-2-8(13)10(9)14;11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10;11-6-3-1-2-5-9(6)7(12)4-8(13)10(5)14;2*11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6;11-7-2-3-8-6(5-7)1-4-9(12)10(8)13;11-7-2-1-6-3-8(12)5-10(13)9(6)4-7;11-6-1-2-7-8(5-6)10(13)4-3-9(7)12;11-6-4-8-7(10(13)5-6)2-1-3-9(8)12;11-7-4-6-2-1-3-8(12)10(6)9(13)5-7;11-8-3-1-2-7-6(8)4-5-9(12)10(7)13;11-7-4-5-9(13)10-6(7)2-1-3-8(10)12;11-7-3-1-2-6-4-5-8(12)10(13)9(6)7;11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h9*1-4,11-14H;9*1-5,11-13H.
What are the key properties of naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol?
naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol has a molecular weight of 3315.07 g/mol, XLogP of 32.57, 0 rotatable bonds, 63 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2,4,5-tetrol;bis(naphthalene-1,2,4,8-tetrol);naphthalene-1,2,5,6-tetrol;naphthalene-1,2,5,8-tetrol;naphthalene-1,2,6,8-tetrol;naphthalene-1,3,5,7-tetrol;naphthalene-1,3,5,8-tetrol;naphthalene-1,4,5,8-tetrol;naphthalene-1,2,4-triol;naphthalene-1,2,5-triol;naphthalene-1,2,6-triol;naphthalene-1,2,8-triol;naphthalene-1,3,5-triol;naphthalene-1,3,7-triol;naphthalene-1,3,8-triol;naphthalene-1,4,5-triol;naphthalene-1,4,6-triol is sourced from PubChem (CID 159623338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).