(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone

C16H16O4 — CID 174443655

IUPAC(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone
SMILESCOc1cc(C(=O)c2ccccc2)c(O)c(OC)c1C
InChIInChI=1S/C16H16O4/c1-10-13(19-2)9-12(15(18)16(10)20-3)14(17)11-7-5-4-6-8-11/h4-9,18H,1-3H3
InChIKeyATEKYGRCJAKGPP-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.95
Rot. Bonds4

About (2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone

(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone (PubChem CID 174443655) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone
PubChem CID174443655
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone
SMILESCOc1cc(C(=O)c2ccccc2)c(O)c(OC)c1C
InChIInChI=1S/C16H16O4/c1-10-13(19-2)9-12(15(18)16(10)20-3)14(17)11-7-5-4-6-8-11/h4-9,18H,1-3H3
InChIKeyATEKYGRCJAKGPP-UHFFFAOYSA-N
XLogP2.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone
CID 67125104
(2-hydroxy-5-methoxy-3,4-diphenylphenyl)-phenylmethanone
CID 10948907
(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
CID 175255493
CID 87284936
CID 87284936
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
(2-benzoyl-4,5-dimethoxyphenyl) benzoate
CID 141249986
(4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone
CID 71574701
(2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-6-ylmethanone
CID 122182218
disodium;6-benzoyl-3,4-dimethoxybenzene-1,2-disulfonoperoxoate
CID 87207132
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone
CID 159803973

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone?
The IUPAC name of (2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone (CID 174443655) is (2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone.
What is the SMILES notation for (2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone?
The canonical SMILES for (2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone is COc1cc(C(=O)c2ccccc2)c(O)c(OC)c1C.
What is the InChIKey of (2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone?
The InChIKey is ATEKYGRCJAKGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-10-13(19-2)9-12(15(18)16(10)20-3)14(17)11-7-5-4-6-8-11/h4-9,18H,1-3H3.
What are the key properties of (2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone?
(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone has a molecular weight of 272.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone is sourced from PubChem (CID 174443655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).