bis(naphthalene-2,7-diol);naphthalen-1-ol

C30H24O5 — CID 174973186

IUPACbis(naphthalene-2,7-diol);naphthalen-1-ol
SMILESOc1ccc2ccc(O)cc2c1.Oc1ccc2ccc(O)cc2c1.Oc1cccc2ccccc12
InChIInChI=1S/2C10H8O2.C10H8O/c2*11-9-3-1-7-2-4-10(12)6-8(7)5-9;11-10-7-3-5-8-4-1-2-6-9(8)10/h2*1-6,11-12H;1-7,11H
InChIKeyRUTAKRKXRYKZET-UHFFFAOYSA-N
MW464.52 g/mol
LogP7.05
Rot. Bonds

About bis(naphthalene-2,7-diol);naphthalen-1-ol

bis(naphthalene-2,7-diol);naphthalen-1-ol (PubChem CID 174973186) has the molecular formula C30H24O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is bis(naphthalene-2,7-diol);naphthalen-1-ol.

Molecular Properties

Compound Namebis(naphthalene-2,7-diol);naphthalen-1-ol
PubChem CID174973186
Molecular FormulaC30H24O5
Molecular Weight464.52 g/mol
Exact Mass464.16
IUPAC Namebis(naphthalene-2,7-diol);naphthalen-1-ol
SMILESOc1ccc2ccc(O)cc2c1.Oc1ccc2ccc(O)cc2c1.Oc1cccc2ccccc12
InChIInChI=1S/2C10H8O2.C10H8O/c2*11-9-3-1-7-2-4-10(12)6-8(7)5-9;11-10-7-3-5-8-4-1-2-6-9(8)10/h2*1-6,11-12H;1-7,11H
InChIKeyRUTAKRKXRYKZET-UHFFFAOYSA-N
XLogP7.05
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 57.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 174561564
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naphthalen-2-ol
CID 71750931
tetrakis(naphthalen-1-ol);titanium
CID 18400436
phenanthren-3-ol
CID 73057263
bis(naphthalen-1-ol);titanium(2+);dichloride
CID 21243627
CID 69280188
CID 69280188
bis(naphthalen-1-ol);zirconium(2+);dichloride
CID 21243616
naphthalen-1-ol;zinc;hydrate
CID 175263139
3-methylphenol;naphthalen-1-ol
CID 66623772
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CID 91107047

Frequently Asked Questions

What is the IUPAC name of bis(naphthalene-2,7-diol);naphthalen-1-ol?
The IUPAC name of bis(naphthalene-2,7-diol);naphthalen-1-ol (CID 174973186) is bis(naphthalene-2,7-diol);naphthalen-1-ol.
What is the SMILES notation for bis(naphthalene-2,7-diol);naphthalen-1-ol?
The canonical SMILES for bis(naphthalene-2,7-diol);naphthalen-1-ol is Oc1ccc2ccc(O)cc2c1.Oc1ccc2ccc(O)cc2c1.Oc1cccc2ccccc12.
What is the InChIKey of bis(naphthalene-2,7-diol);naphthalen-1-ol?
The InChIKey is RUTAKRKXRYKZET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8O2.C10H8O/c2*11-9-3-1-7-2-4-10(12)6-8(7)5-9;11-10-7-3-5-8-4-1-2-6-9(8)10/h2*1-6,11-12H;1-7,11H.
What are the key properties of bis(naphthalene-2,7-diol);naphthalen-1-ol?
bis(naphthalene-2,7-diol);naphthalen-1-ol has a molecular weight of 464.52 g/mol, XLogP of 7.05, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(naphthalene-2,7-diol);naphthalen-1-ol is sourced from PubChem (CID 174973186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).