(2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone

C17H16O3 — CID 67658213

IUPAC(2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone
SMILESCC=Cc1c(OC)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C17H16O3/c1-3-7-13-15(20-2)11-10-14(17(13)19)16(18)12-8-5-4-6-9-12/h3-11,19H,1-2H3
InChIKeyLMVVGWMTORKXSC-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.66
Rot. Bonds4

About (2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone

(2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone (PubChem CID 67658213) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone
PubChem CID67658213
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone
SMILESCC=Cc1c(OC)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C17H16O3/c1-3-7-13-15(20-2)11-10-14(17(13)19)16(18)12-8-5-4-6-9-12/h3-11,19H,1-2H3
InChIKeyLMVVGWMTORKXSC-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 18714090
(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
CID 86122742
(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone
CID 159803973
(Z)-4-[(3-benzoyl-2-hydroxy-6-methoxyphenyl)methoxy]-4-oxobut-2-enoic acid
CID 70541463
(3-benzoyl-2-hydroxy-6-methoxyphenyl)methyl 2-methylprop-2-enoate
CID 169082393
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
(2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone
CID 67125104
3-[3-[(3-benzoyl-2-hydroxy-6-methoxyphenyl)methyl]-2-hydroxy-4-methoxyphenyl]benzaldehyde
CID 139891703
bis[6-benzoyl-2-(hydroxymethyl)-3-methoxyphenyl] (Z)-but-2-enedioate
CID 70541465
[4-(2,3-dihydroxy-4-methoxybenzoyl)-2,6-dihydroxyphenyl] benzoate
CID 129260019
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
(2-hydroxy-5-methoxy-3,4-diphenylphenyl)-phenylmethanone
CID 10948907

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone?
The IUPAC name of (2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone (CID 67658213) is (2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone.
What is the SMILES notation for (2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone?
The canonical SMILES for (2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone is CC=Cc1c(OC)ccc(C(=O)c2ccccc2)c1O.
What is the InChIKey of (2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone?
The InChIKey is LMVVGWMTORKXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-3-7-13-15(20-2)11-10-14(17(13)19)16(18)12-8-5-4-6-9-12/h3-11,19H,1-2H3.
What are the key properties of (2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone?
(2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone has a molecular weight of 268.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone is sourced from PubChem (CID 67658213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).