[2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone

C14H12O4 — CID 70472196

IUPAC[2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(CO)c(O)c1O
InChIInChI=1S/C14H12O4/c15-8-10-6-7-11(14(18)13(10)17)12(16)9-4-2-1-3-5-9/h1-7,15,17-18H,8H2
InChIKeyCVTQFBRXRWHWOF-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.82
Rot. Bonds3

About [2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone

[2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone (PubChem CID 70472196) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is [2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone
PubChem CID70472196
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name[2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(CO)c(O)c1O
InChIInChI=1S/C14H12O4/c15-8-10-6-7-11(14(18)13(10)17)12(16)9-4-2-1-3-5-9/h1-7,15,17-18H,8H2
InChIKeyCVTQFBRXRWHWOF-UHFFFAOYSA-N
XLogP1.82
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-2-hydroxyphenyl)-phenylmethanone
CID 10512885
3-benzoyl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 135589785
(3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride
CID 70538828
[3-(1,3-dihydroxypropan-2-ylamino)-2,4-dihydroxyphenyl]-phenylmethanone
CID 15856191
(2-benzoyl-3,4-diethylphenyl)-phenylmethanone
CID 175879744
diphenylmethanone
CID 3102
4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid
CID 154089670
(1,4-dihydroxynaphthalen-2-yl)-phenylmethanone
CID 11277063
(2,3-dihydroxy-4-octoxyphenyl)-phenylmethanone
CID 21391594
(3-benzoyl-2-hydroxyphenyl)methyl acetate
CID 141325026
(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 18714090
(2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone
CID 67125104

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone?
The IUPAC name of [2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone (CID 70472196) is [2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone?
The canonical SMILES for [2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(CO)c(O)c1O.
What is the InChIKey of [2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone?
The InChIKey is CVTQFBRXRWHWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-8-10-6-7-11(14(18)13(10)17)12(16)9-4-2-1-3-5-9/h1-7,15,17-18H,8H2.
What are the key properties of [2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone?
[2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone has a molecular weight of 244.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 70472196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).