(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone

C16H16O3 — CID 18714090

IUPAC(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone
SMILESCCc1c(OC)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C16H16O3/c1-3-12-14(19-2)10-9-13(16(12)18)15(17)11-7-5-4-6-8-11/h4-10,18H,3H2,1-2H3
InChIKeyFKVWVEGYEJAYNE-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.19
Rot. Bonds4

About (3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone

(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone (PubChem CID 18714090) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone
PubChem CID18714090
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone
SMILESCCc1c(OC)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C16H16O3/c1-3-12-14(19-2)10-9-13(16(12)18)15(17)11-7-5-4-6-8-11/h4-10,18H,3H2,1-2H3
InChIKeyFKVWVEGYEJAYNE-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
CID 86122742
(3-benzoyl-2-hydroxy-6-methoxyphenyl)methyl 2-methylprop-2-enoate
CID 169082393
(Z)-4-[(3-benzoyl-2-hydroxy-6-methoxyphenyl)methoxy]-4-oxobut-2-enoic acid
CID 70541463
(2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone
CID 67658213
3-[3-[(3-benzoyl-2-hydroxy-6-methoxyphenyl)methyl]-2-hydroxy-4-methoxyphenyl]benzaldehyde
CID 139891703
[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone
CID 58297973
(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone
CID 159803973
2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
(2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone
CID 67125104
bis[6-benzoyl-2-(hydroxymethyl)-3-methoxyphenyl] (Z)-but-2-enedioate
CID 70541465
(2,3-dihydroxy-4-octoxyphenyl)-phenylmethanone
CID 21391594

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone?
The IUPAC name of (3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone (CID 18714090) is (3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone.
What is the SMILES notation for (3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone?
The canonical SMILES for (3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone is CCc1c(OC)ccc(C(=O)c2ccccc2)c1O.
What is the InChIKey of (3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone?
The InChIKey is FKVWVEGYEJAYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-3-12-14(19-2)10-9-13(16(12)18)15(17)11-7-5-4-6-8-11/h4-10,18H,3H2,1-2H3.
What are the key properties of (3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone?
(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone has a molecular weight of 256.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone is sourced from PubChem (CID 18714090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).