(1,4-dihydroxynaphthalen-2-yl)-phenylmethanone

C17H12O3 — CID 11277063

IUPAC(1,4-dihydroxynaphthalen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C17H12O3/c18-15-10-14(16(19)11-6-2-1-3-7-11)17(20)13-9-5-4-8-12(13)15/h1-10,18,20H
InChIKeyQGOOAEUHQGFESJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.48
Rot. Bonds2

About (1,4-dihydroxynaphthalen-2-yl)-phenylmethanone

(1,4-dihydroxynaphthalen-2-yl)-phenylmethanone (PubChem CID 11277063) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is (1,4-dihydroxynaphthalen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(1,4-dihydroxynaphthalen-2-yl)-phenylmethanone
PubChem CID11277063
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name(1,4-dihydroxynaphthalen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C17H12O3/c18-15-10-14(16(19)11-6-2-1-3-7-11)17(20)13-9-5-4-8-12(13)15/h1-10,18,20H
InChIKeyQGOOAEUHQGFESJ-UHFFFAOYSA-N
XLogP3.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(1,4-dihydroxynaphthalene-2-carbonyl)benzonitrile
CID 11022571
4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid
CID 154089670
CID 87284936
CID 87284936
dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)
CID 178181364
3-benzoyl-4,5-dihydroxybenzenesulfonic acid
CID 174382159
2-hydroxyethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 156840191
acetic acid;2-methylnaphthalene-1,4-diol
CID 57358360
(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-phenylmethanone
CID 70476179
(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
CID 88685403
diphenylmethanone;hydron;fluoride
CID 21465824
2-phenoxyethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 4650787
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of (1,4-dihydroxynaphthalen-2-yl)-phenylmethanone?
The IUPAC name of (1,4-dihydroxynaphthalen-2-yl)-phenylmethanone (CID 11277063) is (1,4-dihydroxynaphthalen-2-yl)-phenylmethanone.
What is the SMILES notation for (1,4-dihydroxynaphthalen-2-yl)-phenylmethanone?
The canonical SMILES for (1,4-dihydroxynaphthalen-2-yl)-phenylmethanone is O=C(c1ccccc1)c1cc(O)c2ccccc2c1O.
What is the InChIKey of (1,4-dihydroxynaphthalen-2-yl)-phenylmethanone?
The InChIKey is QGOOAEUHQGFESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-15-10-14(16(19)11-6-2-1-3-7-11)17(20)13-9-5-4-8-12(13)15/h1-10,18,20H.
What are the key properties of (1,4-dihydroxynaphthalen-2-yl)-phenylmethanone?
(1,4-dihydroxynaphthalen-2-yl)-phenylmethanone has a molecular weight of 264.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dihydroxynaphthalen-2-yl)-phenylmethanone is sourced from PubChem (CID 11277063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).