(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone

C16H16O5 — CID 56666166

IUPAC(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC)c(O)c2OC)cc1
InChIInChI=1S/C16H16O5/c1-19-11-6-4-10(5-7-11)14(17)12-8-9-13(20-2)15(18)16(12)21-3/h4-9,18H,1-3H3
InChIKeyGRGVDRVIEYNXKK-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.65
Rot. Bonds5

About (3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone

(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone (PubChem CID 56666166) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is (3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
PubChem CID56666166
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC)c(O)c2OC)cc1
InChIInChI=1S/C16H16O5/c1-19-11-6-4-10(5-7-11)14(17)12-8-9-13(20-2)15(18)16(12)21-3/h4-9,18H,1-3H3
InChIKeyGRGVDRVIEYNXKK-UHFFFAOYSA-N
XLogP2.65
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
[6-(4-methoxybenzoyl)pyren-1-yl]-(4-methoxyphenyl)methanone
CID 23069530
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone
CID 159246346
(4-methoxyphenyl)-pyren-1-ylmethanone
CID 23069494
7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one
CID 154947659
(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 518799
[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone
CID 11204032
sodium;3,4-dihydroxy-2-methoxy-5-(4-methoxybenzoyl)benzenesulfonic acid;hydride
CID 175337260
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
(4-benzoylphenyl) 2,3,4-trimethoxybenzoate
CID 9095487

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone (CID 56666166) is (3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(OC)c(O)c2OC)cc1.
What is the InChIKey of (3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone?
The InChIKey is GRGVDRVIEYNXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-19-11-6-4-10(5-7-11)14(17)12-8-9-13(20-2)15(18)16(12)21-3/h4-9,18H,1-3H3.
What are the key properties of (3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone?
(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone has a molecular weight of 288.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 56666166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).