anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol

C138H106O24 — CID 161151752

IUPACanthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol
SMILESOc1c2ccccc2cc2ccccc12.Oc1ccc(O)cc1.Oc1ccc2c(O)c3ccccc3cc2c1O.Oc1ccc2c(O)cccc2c1.Oc1ccc2cc(O)ccc2c1.Oc1ccc2ccc3c(O)ccc4ccc1c2c43.Oc1ccc2ccc3cccc4ccc1c2c34.Oc1cccc(O)c1.Oc1cccc2c(O)cccc12.Oc1cccc2cc3cccc(O)c3c(O)c12.Oc1cccc2ccccc12.Oc1ccccc1.Oc1ccccc1O
InChIInChI=1S/C16H10O2.C16H10O.2C14H10O3.C14H10O.3C10H8O2.C10H8O.3C6H6O2.C6H6O/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12;17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10;15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;11-9-3-1-7-5-10(12)4-2-8(7)6-9;11-9-5-1-3-7-8(9)4-2-6-10(7)12;11-8-4-5-9-7(6-8)2-1-3-10(9)12;11-10-7-3-5-8-4-1-2-6-9(8)10;7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-8,17-18H;1-9,17H;2*1-7,15-17H;1-9,15H;3*1-6,11-12H;1-7,11H;3*1-4,7-8H;1-5,7H
InChIKeyUOTRUOSEPHFWAB-UHFFFAOYSA-N
MW2148.34 g/mol
LogP32.19
Rot. Bonds

About anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol

anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol (PubChem CID 161151752) has the molecular formula C138H106O24 and a molecular weight of 2148.34 g/mol. Its IUPAC name is anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol.

Molecular Properties

Compound Nameanthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol
PubChem CID161151752
Molecular FormulaC138H106O24
Molecular Weight2148.34 g/mol
Exact Mass2146.71
IUPAC Nameanthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol
SMILESOc1c2ccccc2cc2ccccc12.Oc1ccc(O)cc1.Oc1ccc2c(O)c3ccccc3cc2c1O.Oc1ccc2c(O)cccc2c1.Oc1ccc2cc(O)ccc2c1.Oc1ccc2ccc3c(O)ccc4ccc1c2c43.Oc1ccc2ccc3cccc4ccc1c2c34.Oc1cccc(O)c1.Oc1cccc2c(O)cccc12.Oc1cccc2cc3cccc(O)c3c(O)c12.Oc1cccc2ccccc12.Oc1ccccc1.Oc1ccccc1O
InChIInChI=1S/C16H10O2.C16H10O.2C14H10O3.C14H10O.3C10H8O2.C10H8O.3C6H6O2.C6H6O/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12;17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10;15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;11-9-3-1-7-5-10(12)4-2-8(7)6-9;11-9-5-1-3-7-8(9)4-2-6-10(7)12;11-8-4-5-9-7(6-8)2-1-3-10(9)12;11-10-7-3-5-8-4-1-2-6-9(8)10;7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-8,17-18H;1-9,17H;2*1-7,15-17H;1-9,15H;3*1-6,11-12H;1-7,11H;3*1-4,7-8H;1-5,7H
InChIKeyUOTRUOSEPHFWAB-UHFFFAOYSA-N
XLogP32.19
TPSA485.52 Ų
H-Bond Donors24
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002148.34
LogP ≤ 532.19
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1024

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol with MolForge

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Related Compounds

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CID 160740349
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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
tetrakis(carbon dioxide);naphthalene-1,2-diol;naphthalene-1,3-diol;naphthalene-1,4-diol;naphthalene-2,6-diol
CID 165025673
anthracene-1,2,10-triol
CID 11342
naphthalene-1,4-diol;naphthalene-2,6-diol
CID 67516588
naphthalene-1,2-diol;naphthalene-1,4-diol
CID 157322625
ethane;naphthalen-1-ol;propane;pyren-4-ol
CID 158872339
azane;benzo[a]anthracen-1-ol
CID 87178862
bis(naphthalene-2,7-diol);naphthalen-1-ol
CID 174973186
benzo[a]anthracen-1-ol;methane
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Frequently Asked Questions

What is the IUPAC name of anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol?
The IUPAC name of anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol (CID 161151752) is anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol.
What is the SMILES notation for anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol?
The canonical SMILES for anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol is Oc1c2ccccc2cc2ccccc12.Oc1ccc(O)cc1.Oc1ccc2c(O)c3ccccc3cc2c1O.Oc1ccc2c(O)cccc2c1.Oc1ccc2cc(O)ccc2c1.Oc1ccc2ccc3c(O)ccc4ccc1c2c43.Oc1ccc2ccc3cccc4ccc1c2c34.Oc1cccc(O)c1.Oc1cccc2c(O)cccc12.Oc1cccc2cc3cccc(O)c3c(O)c12.Oc1cccc2ccccc12.Oc1ccccc1.Oc1ccccc1O.
What is the InChIKey of anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol?
The InChIKey is UOTRUOSEPHFWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O2.C16H10O.2C14H10O3.C14H10O.3C10H8O2.C10H8O.3C6H6O2.C6H6O/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12;17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10;15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;11-9-3-1-7-5-10(12)4-2-8(7)6-9;11-9-5-1-3-7-8(9)4-2-6-10(7)12;11-8-4-5-9-7(6-8)2-1-3-10(9)12;11-10-7-3-5-8-4-1-2-6-9(8)10;7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-8,17-18H;1-9,17H;2*1-7,15-17H;1-9,15H;3*1-6,11-12H;1-7,11H;3*1-4,7-8H;1-5,7H.
What are the key properties of anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol?
anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol has a molecular weight of 2148.34 g/mol, XLogP of 32.19, 0 rotatable bonds, 24 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1,2,10-triol;anthracene-1,8,9-triol;anthracen-9-ol;benzene-1,2-diol;benzene-1,3-diol;benzene-1,4-diol;naphthalene-1,5-diol;naphthalene-1,6-diol;naphthalene-2,6-diol;naphthalen-1-ol;phenol;pyrene-1,6-diol;pyren-1-ol is sourced from PubChem (CID 161151752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).