bis(2-hydroxynaphthalen-1-yl)methanone

C21H14O3 — CID 68928260

IUPACbis(2-hydroxynaphthalen-1-yl)methanone
SMILESO=C(c1c(O)ccc2ccccc12)c1c(O)ccc2ccccc12
InChIInChI=1S/C21H14O3/c22-17-11-9-13-5-1-3-7-15(13)19(17)21(24)20-16-8-4-2-6-14(16)10-12-18(20)23/h1-12,22-23H
InChIKeyWJYNSGGBSQBIML-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.64
Rot. Bonds2

About bis(2-hydroxynaphthalen-1-yl)methanone

bis(2-hydroxynaphthalen-1-yl)methanone (PubChem CID 68928260) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is bis(2-hydroxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Namebis(2-hydroxynaphthalen-1-yl)methanone
PubChem CID68928260
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Namebis(2-hydroxynaphthalen-1-yl)methanone
SMILESO=C(c1c(O)ccc2ccccc12)c1c(O)ccc2ccccc12
InChIInChI=1S/C21H14O3/c22-17-11-9-13-5-1-3-7-15(13)19(17)21(24)20-16-8-4-2-6-14(16)10-12-18(20)23/h1-12,22-23H
InChIKeyWJYNSGGBSQBIML-UHFFFAOYSA-N
XLogP4.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279236
(E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid
CID 82263015
N-(diaminomethylidene)-2-hydroxynaphthalene-1-carboxamide;hydrate;hydrochloride
CID 22447281
(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 11572416
diethylamino 2-hydroxynaphthalene-1-carboxylate
CID 22369256
2-hydroxyphenanthrene-1-carbohydrazide
CID 87840739
1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol
CID 132502188
1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol
CID 135766896
N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide
CID 86575073
2-hydroxynaphthalene-1-carboxylic acid;naphthalene-1-sulfonic acid
CID 175565769
methyl 3-hydroxyphenanthrene-4-carboxylate
CID 89028786
(2-hydroxynaphthalen-1-yl)oxy-oxooxidanium
CID 91550441

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxynaphthalen-1-yl)methanone?
The IUPAC name of bis(2-hydroxynaphthalen-1-yl)methanone (CID 68928260) is bis(2-hydroxynaphthalen-1-yl)methanone.
What is the SMILES notation for bis(2-hydroxynaphthalen-1-yl)methanone?
The canonical SMILES for bis(2-hydroxynaphthalen-1-yl)methanone is O=C(c1c(O)ccc2ccccc12)c1c(O)ccc2ccccc12.
What is the InChIKey of bis(2-hydroxynaphthalen-1-yl)methanone?
The InChIKey is WJYNSGGBSQBIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c22-17-11-9-13-5-1-3-7-15(13)19(17)21(24)20-16-8-4-2-6-14(16)10-12-18(20)23/h1-12,22-23H.
What are the key properties of bis(2-hydroxynaphthalen-1-yl)methanone?
bis(2-hydroxynaphthalen-1-yl)methanone has a molecular weight of 314.34 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxynaphthalen-1-yl)methanone is sourced from PubChem (CID 68928260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).