[2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone

C42H34O4 — CID 144622608

IUPAC[2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cc(-c2ccccc2-c2ccccc2-c2ccc(OC)c(C(=O)c3ccccc3C)c2)ccc1C
InChIInChI=1S/C42H34O4/c1-27-13-5-6-14-31(27)41(43)38-26-30(23-24-40(38)46-4)33-16-8-10-18-35(33)34-17-9-7-15-32(34)29-22-21-28(2)37(25-29)42(44)36-19-11-12-20-39(36)45-3/h5-26H,1-4H3
InChIKeyMYRFLTAQTCYCDM-UHFFFAOYSA-N
MW602.73 g/mol
LogP9.78
Rot. Bonds9

About [2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone

[2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone (PubChem CID 144622608) has the molecular formula C42H34O4 and a molecular weight of 602.73 g/mol. Its IUPAC name is [2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone
PubChem CID144622608
Molecular FormulaC42H34O4
Molecular Weight602.73 g/mol
Exact Mass602.25
IUPAC Name[2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cc(-c2ccccc2-c2ccccc2-c2ccc(OC)c(C(=O)c3ccccc3C)c2)ccc1C
InChIInChI=1S/C42H34O4/c1-27-13-5-6-14-31(27)41(43)38-26-30(23-24-40(38)46-4)33-16-8-10-18-35(33)34-17-9-7-15-32(34)29-22-21-28(2)37(25-29)42(44)36-19-11-12-20-39(36)45-3/h5-26H,1-4H3
InChIKeyMYRFLTAQTCYCDM-UHFFFAOYSA-N
XLogP9.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.73
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-2-methoxyphenyl)-(2-methylphenyl)methanone
CID 82084658
(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone
CID 171716642
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
(5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone
CID 114029899
5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid
CID 116810848
(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 14012570
1-[2-hydroxy-5-(2-methoxyphenyl)phenyl]ethanone
CID 23004893
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
CID 67693091

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone?
The IUPAC name of [2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone (CID 144622608) is [2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone is COc1ccccc1C(=O)c1cc(-c2ccccc2-c2ccccc2-c2ccc(OC)c(C(=O)c3ccccc3C)c2)ccc1C.
What is the InChIKey of [2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone?
The InChIKey is MYRFLTAQTCYCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34O4/c1-27-13-5-6-14-31(27)41(43)38-26-30(23-24-40(38)46-4)33-16-8-10-18-35(33)34-17-9-7-15-32(34)29-22-21-28(2)37(25-29)42(44)36-19-11-12-20-39(36)45-3/h5-26H,1-4H3.
What are the key properties of [2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone?
[2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone has a molecular weight of 602.73 g/mol, XLogP of 9.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone is sourced from PubChem (CID 144622608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).