(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone

C17H18O5 — CID 10902719

IUPAC(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C17H18O5/c1-19-13-7-5-6-11(8-13)16(18)12-9-14(20-2)17(22-4)15(10-12)21-3/h5-10H,1-4H3
InChIKeyKZFNHXYYISYETO-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.95
Rot. Bonds6

About (3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone

(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10902719) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is (3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10902719
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C17H18O5/c1-19-13-7-5-6-11(8-13)16(18)12-9-14(20-2)17(22-4)15(10-12)21-3/h5-10H,1-4H3
InChIKeyKZFNHXYYISYETO-UHFFFAOYSA-N
XLogP2.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
(3-methoxycarbonylphenyl) 3,4,5-trimethoxybenzoate
CID 8840220
[3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 174357857
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
3,4,5-trimethoxy-N'-[1-(3-methoxyphenyl)ethenyl]benzohydrazide
CID 2401018
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
[3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone
CID 56970113
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
(6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 155803415

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 10902719) is (3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone is COc1cccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of (3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KZFNHXYYISYETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-19-13-7-5-6-11(8-13)16(18)12-9-14(20-2)17(22-4)15(10-12)21-3/h5-10H,1-4H3.
What are the key properties of (3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 302.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10902719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).