2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol

C29H24O3 — CID 71342974

IUPAC2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol
SMILESOCc1cccc(Cc2ccc3ccccc3c2O)c1Cc1ccc2ccccc2c1O
InChIInChI=1S/C29H24O3/c30-18-24-9-5-8-21(16-22-14-12-19-6-1-3-10-25(19)28(22)31)27(24)17-23-15-13-20-7-2-4-11-26(20)29(23)32/h1-15,30-32H,16-18H2
InChIKeyQOGUSQFKQIUWNU-UHFFFAOYSA-N
MW420.51 g/mol
LogP6.08
Rot. Bonds5

About 2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol

2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol (PubChem CID 71342974) has the molecular formula C29H24O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol
PubChem CID71342974
Molecular FormulaC29H24O3
Molecular Weight420.51 g/mol
Exact Mass420.17
IUPAC Name2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol
SMILESOCc1cccc(Cc2ccc3ccccc3c2O)c1Cc1ccc2ccccc2c1O
InChIInChI=1S/C29H24O3/c30-18-24-9-5-8-21(16-22-14-12-19-6-1-3-10-25(19)28(22)31)27(24)17-23-15-13-20-7-2-4-11-26(20)29(23)32/h1-15,30-32H,16-18H2
InChIKeyQOGUSQFKQIUWNU-UHFFFAOYSA-N
XLogP6.08
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-1-ylmethyl)naphthalen-1-ol
CID 15617878
1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
CID 15213459
2-[(2-methoxyphenyl)methyl]naphthalen-1-ol
CID 15617840
2-(naphthalen-2-ylmethyl)naphthalen-1-ol
CID 14854909
2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol
CID 175235965
2-[(4-bromophenyl)methyl]naphthalen-1-ol
CID 15617869
2-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(1-hydroxynaphthalen-2-yl)methyl]phenyl]propan-2-yl]-3-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol
CID 129291813
CID 66760372
CID 66760372
2-(1-hydroxynaphthalen-2-yl)acetamide;hydrochloride
CID 161067432
2-(cyclohexylmethyl)naphthalen-1-ol
CID 15617835
benzo[a]anthracen-8-ylmethanol
CID 25090609
2-[(1,6-dihydroxynaphthalen-2-yl)methyl]naphthalene-1,6-diol
CID 67893897

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol?
The IUPAC name of 2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol (CID 71342974) is 2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol?
The canonical SMILES for 2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol is OCc1cccc(Cc2ccc3ccccc3c2O)c1Cc1ccc2ccccc2c1O.
What is the InChIKey of 2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol?
The InChIKey is QOGUSQFKQIUWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O3/c30-18-24-9-5-8-21(16-22-14-12-19-6-1-3-10-25(19)28(22)31)27(24)17-23-15-13-20-7-2-4-11-26(20)29(23)32/h1-15,30-32H,16-18H2.
What are the key properties of 2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol?
2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol has a molecular weight of 420.51 g/mol, XLogP of 6.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol is sourced from PubChem (CID 71342974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).