[3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone

C22H20O3 — CID 56970113

IUPAC[3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cccc(-c3ccc(OC)c(C)c3)c2)c1
InChIInChI=1S/C22H20O3/c1-15-12-17(10-11-21(15)25-3)16-6-4-7-18(13-16)22(23)19-8-5-9-20(14-19)24-2/h4-14H,1-3H3
InChIKeyPDDVUPRMPKTYHE-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.91
Rot. Bonds5

About [3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone

[3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone (PubChem CID 56970113) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is [3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone
PubChem CID56970113
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name[3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cccc(-c3ccc(OC)c(C)c3)c2)c1
InChIInChI=1S/C22H20O3/c1-15-12-17(10-11-21(15)25-3)16-6-4-7-18(13-16)22(23)19-8-5-9-20(14-19)24-2/h4-14H,1-3H3
InChIKeyPDDVUPRMPKTYHE-UHFFFAOYSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
3-(3-methoxy-4-methylphenyl)benzoic acid
CID 53216637
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene
CID 44543110
formaldehyde;bis(1-methoxy-2-methyl-4-(3-methylphenyl)benzene)
CID 175275695
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
[3-(3,5-dimethoxy-4-methylphenyl)phenyl]-(4-hydroxy-3,5-dimethoxyphenyl)methanone
CID 165402891

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone?
The IUPAC name of [3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone (CID 56970113) is [3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2cccc(-c3ccc(OC)c(C)c3)c2)c1.
What is the InChIKey of [3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone?
The InChIKey is PDDVUPRMPKTYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-15-12-17(10-11-21(15)25-3)16-6-4-7-18(13-16)22(23)19-8-5-9-20(14-19)24-2/h4-14H,1-3H3.
What are the key properties of [3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone?
[3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone has a molecular weight of 332.40 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 56970113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).