(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone

C16H16O3 — CID 105079255

IUPAC(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
SMILESCOc1cccc(C(=O)c2cccc(C)c2)c1OC
InChIInChI=1S/C16H16O3/c1-11-6-4-7-12(10-11)15(17)13-8-5-9-14(18-2)16(13)19-3/h4-10H,1-3H3
InChIKeyDRXSJSGVVLZREU-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.24
Rot. Bonds4

About (2,3-dimethoxyphenyl)-(3-methylphenyl)methanone

(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone (PubChem CID 105079255) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
PubChem CID105079255
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
SMILESCOc1cccc(C(=O)c2cccc(C)c2)c1OC
InChIInChI=1S/C16H16O3/c1-11-6-4-7-12(10-11)15(17)13-8-5-9-14(18-2)16(13)19-3/h4-10H,1-3H3
InChIKeyDRXSJSGVVLZREU-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 105118811
(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105122790
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 43161114
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
2-methoxy-5-(3-methylbenzoyl)benzoic acid
CID 22917219
bis(3-methylphenyl)methanone
CID 17848
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
2-(3-methylbenzoyl)benzoic acid
CID 2801746
3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde
CID 140507897
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(3-methylphenyl)methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-(3-methylphenyl)methanone (CID 105079255) is (2,3-dimethoxyphenyl)-(3-methylphenyl)methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(3-methylphenyl)methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-(3-methylphenyl)methanone is COc1cccc(C(=O)c2cccc(C)c2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(3-methylphenyl)methanone?
The InChIKey is DRXSJSGVVLZREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-6-4-7-12(10-11)15(17)13-8-5-9-14(18-2)16(13)19-3/h4-10H,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-(3-methylphenyl)methanone?
(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone has a molecular weight of 256.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(3-methylphenyl)methanone is sourced from PubChem (CID 105079255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).