[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone

C21H18O2 — CID 14451235

IUPAC[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
SMILESCOc1ccc(Cc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18O2/c1-23-19-13-11-16(12-14-19)15-18-9-5-6-10-20(18)21(22)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyLJOHTZJWTUOPHP-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.52
Rot. Bonds5

About [2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone

[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone (PubChem CID 14451235) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
PubChem CID14451235
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
SMILESCOc1ccc(Cc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18O2/c1-23-19-13-11-16(12-14-19)15-18-9-5-6-10-20(18)21(22)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyLJOHTZJWTUOPHP-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
methyl 4-(2-benzylbenzoyl)-1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylate
CID 10367314
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
CID 2587645
(4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725410
(2-benzylphenyl)-(4-bromophenyl)methanone
CID 141365768
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate
CID 23988356
4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one
CID 148644634
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334495
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone (CID 14451235) is [2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone is COc1ccc(Cc2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone?
The InChIKey is LJOHTZJWTUOPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-23-19-13-11-16(12-14-19)15-18-9-5-6-10-20(18)21(22)17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of [2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone?
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone has a molecular weight of 302.37 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone is sourced from PubChem (CID 14451235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).