(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone

C21H18O2 — CID 58133168

IUPAC(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H18O2/c1-16-7-9-18(10-8-16)21(22)19-11-13-20(14-12-19)23-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyJMVJVUDXXJGSRW-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.81
Rot. Bonds5

About (4-methylphenyl)-(4-phenylmethoxyphenyl)methanone

(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone (PubChem CID 58133168) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is (4-methylphenyl)-(4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
PubChem CID58133168
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H18O2/c1-16-7-9-18(10-8-16)21(22)19-11-13-20(14-12-19)23-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyJMVJVUDXXJGSRW-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone
CID 58819189
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
4-phenylmethoxybenzoic acid
CID 68896574
[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone
CID 101243710
[4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone
CID 18988707
[4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone
CID 135673554
4-phenylmethoxybenzoyl fluoride
CID 154719359

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-phenylmethoxyphenyl)methanone?
The IUPAC name of (4-methylphenyl)-(4-phenylmethoxyphenyl)methanone (CID 58133168) is (4-methylphenyl)-(4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for (4-methylphenyl)-(4-phenylmethoxyphenyl)methanone?
The canonical SMILES for (4-methylphenyl)-(4-phenylmethoxyphenyl)methanone is Cc1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-(4-phenylmethoxyphenyl)methanone?
The InChIKey is JMVJVUDXXJGSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-16-7-9-18(10-8-16)21(22)19-11-13-20(14-12-19)23-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3.
What are the key properties of (4-methylphenyl)-(4-phenylmethoxyphenyl)methanone?
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone has a molecular weight of 302.37 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 58133168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).