[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone

C16H16O4 — CID 58297973

IUPAC[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccccc2)c(CO)c1OC
InChIInChI=1S/C16H16O4/c1-19-14-9-8-12(13(10-17)16(14)20-2)15(18)11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3
InChIKeyQWYVCXSHHCRYKV-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.43
Rot. Bonds5

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

[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone (PubChem CID 58297973) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone
PubChem CID58297973
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccccc2)c(CO)c1OC
InChIInChI=1S/C16H16O4/c1-19-14-9-8-12(13(10-17)16(14)20-2)15(18)11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3
InChIKeyQWYVCXSHHCRYKV-UHFFFAOYSA-N
XLogP2.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
bis[6-benzoyl-2-(hydroxymethyl)-3-methoxyphenyl] (Z)-but-2-enedioate
CID 70541465
(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 18714090
(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
CID 86122742
[3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 175008315
(4-benzoylphenyl) 2,3,4-trimethoxybenzoate
CID 9095487
2-benzoyloxyethyl 2,3,4-trimethoxybenzoate
CID 30194766
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
(Z)-4-[(3-benzoyl-2-hydroxy-6-methoxyphenyl)methoxy]-4-oxobut-2-enoic acid
CID 70541463
1-(3-benzyl-2,4-dimethoxyphenyl)ethanone
CID 14523506
but-2-enedioic acid;[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]-phenylmethanone
CID 70542201
1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone?
The IUPAC name of [2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone (CID 58297973) is [2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone.
What is the SMILES notation for [2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone?
The canonical SMILES for [2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone is COc1ccc(C(=O)c2ccccc2)c(CO)c1OC.
What is the InChIKey of [2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone?
The InChIKey is QWYVCXSHHCRYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-14-9-8-12(13(10-17)16(14)20-2)15(18)11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone?
[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone has a molecular weight of 272.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone is sourced from PubChem (CID 58297973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).