[2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone

C28H24O2 — CID 67847920

IUPAC[2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone
SMILESCc1cccc(Cc2ccccc2C(=O)c2ccccc2Oc2ccccc2)c1C
InChIInChI=1S/C28H24O2/c1-20-11-10-13-22(21(20)2)19-23-12-6-7-16-25(23)28(29)26-17-8-9-18-27(26)30-24-14-4-3-5-15-24/h3-18H,19H2,1-2H3
InChIKeyXTBLDGRTANDXIN-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.92
Rot. Bonds6

About [2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone

[2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone (PubChem CID 67847920) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is [2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone
PubChem CID67847920
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Name[2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone
SMILESCc1cccc(Cc2ccccc2C(=O)c2ccccc2Oc2ccccc2)c1C
InChIInChI=1S/C28H24O2/c1-20-11-10-13-22(21(20)2)19-23-12-6-7-16-25(23)28(29)26-17-8-9-18-27(26)30-24-14-4-3-5-15-24/h3-18H,19H2,1-2H3
InChIKeyXTBLDGRTANDXIN-UHFFFAOYSA-N
XLogP6.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-phenoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 141202220
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid
CID 21320367
methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate
CID 10545389
2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone
CID 175001099
(3-methyl-2-phenoxyphenyl)-phenylmethanone
CID 154260379
(2,3-dimethylphenyl) (2-propylphenyl) carbonate
CID 67179085
1,2-dimethyl-3-(2-propylphenoxy)benzene
CID 173291845
(4-phenoxyphenyl) 2,3-dimethylbenzoate
CID 7961917
[2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone
CID 67943677
4-(2,3-dimethylphenoxy)benzoic acid
CID 20987074
[2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone
CID 117071524

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone?
The IUPAC name of [2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone (CID 67847920) is [2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone.
What is the SMILES notation for [2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone?
The canonical SMILES for [2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone is Cc1cccc(Cc2ccccc2C(=O)c2ccccc2Oc2ccccc2)c1C.
What is the InChIKey of [2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone?
The InChIKey is XTBLDGRTANDXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O2/c1-20-11-10-13-22(21(20)2)19-23-12-6-7-16-25(23)28(29)26-17-8-9-18-27(26)30-24-14-4-3-5-15-24/h3-18H,19H2,1-2H3.
What are the key properties of [2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone?
[2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone has a molecular weight of 392.50 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 67847920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).