(4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone

C23H22O4 — CID 71574701

IUPAC(4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(C)cc2)c(-c2ccccc2)c(OC)c1OC
InChIInChI=1S/C23H22O4/c1-15-10-12-17(13-11-15)21(24)18-14-19(25-2)22(26-3)23(27-4)20(18)16-8-6-5-7-9-16/h5-14H,1-4H3
InChIKeyVAGKHTVQCFLDNJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.92
Rot. Bonds6

About (4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone

(4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone (PubChem CID 71574701) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone
PubChem CID71574701
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name(4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(C)cc2)c(-c2ccccc2)c(OC)c1OC
InChIInChI=1S/C23H22O4/c1-15-10-12-17(13-11-15)21(24)18-14-19(25-2)22(26-3)23(27-4)20(18)16-8-6-5-7-9-16/h5-14H,1-4H3
InChIKeyVAGKHTVQCFLDNJ-UHFFFAOYSA-N
XLogP4.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-5-methoxy-3,4-diphenylphenyl)-phenylmethanone
CID 10948907
4-methoxy-1-phenylnaphthalene-2-carboxylic acid
CID 12870686
(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone
CID 174443655
[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171357621
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
[2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone
CID 57087084
[2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone
CID 58858848
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone?
The IUPAC name of (4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone (CID 71574701) is (4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone.
What is the SMILES notation for (4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone?
The canonical SMILES for (4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone is COc1cc(C(=O)c2ccc(C)cc2)c(-c2ccccc2)c(OC)c1OC.
What is the InChIKey of (4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone?
The InChIKey is VAGKHTVQCFLDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-15-10-12-17(13-11-15)21(24)18-14-19(25-2)22(26-3)23(27-4)20(18)16-8-6-5-7-9-16/h5-14H,1-4H3.
What are the key properties of (4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone?
(4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone has a molecular weight of 362.43 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone is sourced from PubChem (CID 71574701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).