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

C22H20O4 — CID 53364048

IUPAC(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(-c3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C22H20O4/c1-24-19-13-18(14-20(25-2)22(19)26-3)21(23)17-11-7-10-16(12-17)15-8-5-4-6-9-15/h4-14H,1-3H3
InChIKeyZZSWGUZVEZYACC-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.61
Rot. Bonds6

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

(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 53364048) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID53364048
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(-c3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C22H20O4/c1-24-19-13-18(14-20(25-2)22(19)26-3)21(23)17-11-7-10-16(12-17)15-8-5-4-6-9-15/h4-14H,1-3H3
InChIKeyZZSWGUZVEZYACC-UHFFFAOYSA-N
XLogP4.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
[3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 174357857
4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11462658
[3-(3,5-dimethoxy-4-methylphenyl)phenyl]-(4-hydroxy-3,5-dimethoxyphenyl)methanone
CID 165402891
3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide
CID 91328901
bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone
CID 58299054
[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-(3,5-diphenylphenyl)methanone
CID 58299161
[3-(3-phenylbenzoyl)phenyl] acetate
CID 131863068
(4-benzoylphenyl) 3,4,5-trimethoxybenzoate
CID 2678942
(3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 127036065
(6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364049
(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122183344

Frequently Asked Questions

What is the IUPAC name of (3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 53364048) is (3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cccc(-c3ccccc3)c2)cc(OC)c1OC.
What is the InChIKey of (3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZZSWGUZVEZYACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-24-19-13-18(14-20(25-2)22(19)26-3)21(23)17-11-7-10-16(12-17)15-8-5-4-6-9-15/h4-14H,1-3H3.
What are the key properties of (3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone?
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 348.40 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 53364048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).