2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol

C28H22O5 — CID 175235965

IUPAC2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol
SMILESO=C(O)c1ccccc1O.Oc1c(Cc2ccc3ccccc3c2O)ccc2ccccc12
InChIInChI=1S/C21H16O2.C7H6O3/c22-20-16(11-9-14-5-1-3-7-18(14)20)13-17-12-10-15-6-2-4-8-19(15)21(17)23;8-6-4-2-1-3-5(6)7(9)10/h1-12,22-23H,13H2;1-4,8H,(H,9,10)
InChIKeyTZSZLCZOOAKJBK-UHFFFAOYSA-N
MW438.48 g/mol
LogP6.09
Rot. Bonds3

About 2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol

2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol (PubChem CID 175235965) has the molecular formula C28H22O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol
PubChem CID175235965
Molecular FormulaC28H22O5
Molecular Weight438.48 g/mol
Exact Mass438.15
IUPAC Name2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol
SMILESO=C(O)c1ccccc1O.Oc1c(Cc2ccc3ccccc3c2O)ccc2ccccc12
InChIInChI=1S/C21H16O2.C7H6O3/c22-20-16(11-9-14-5-1-3-7-18(14)20)13-17-12-10-15-6-2-4-8-19(15)21(17)23;8-6-4-2-1-3-5(6)7(9)10/h1-12,22-23H,13H2;1-4,8H,(H,9,10)
InChIKeyTZSZLCZOOAKJBK-UHFFFAOYSA-N
XLogP6.09
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 56.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol?
The IUPAC name of 2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol (CID 175235965) is 2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol.
What is the SMILES notation for 2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol?
The canonical SMILES for 2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol is O=C(O)c1ccccc1O.Oc1c(Cc2ccc3ccccc3c2O)ccc2ccccc12.
What is the InChIKey of 2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol?
The InChIKey is TZSZLCZOOAKJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2.C7H6O3/c22-20-16(11-9-14-5-1-3-7-18(14)20)13-17-12-10-15-6-2-4-8-19(15)21(17)23;8-6-4-2-1-3-5(6)7(9)10/h1-12,22-23H,13H2;1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol?
2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol has a molecular weight of 438.48 g/mol, XLogP of 6.09, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol is sourced from PubChem (CID 175235965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).