[2,5-di(propan-2-yl)phenyl]-phenylmethanone

C19H22O — CID 165349442

IUPAC[2,5-di(propan-2-yl)phenyl]-phenylmethanone
SMILESCC(C)c1ccc(C(C)C)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H22O/c1-13(2)16-10-11-17(14(3)4)18(12-16)19(20)15-8-6-5-7-9-15/h5-14H,1-4H3
InChIKeyYUPHUFZZCNWKOP-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.16
Rot. Bonds4

About [2,5-di(propan-2-yl)phenyl]-phenylmethanone

[2,5-di(propan-2-yl)phenyl]-phenylmethanone (PubChem CID 165349442) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is [2,5-di(propan-2-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2,5-di(propan-2-yl)phenyl]-phenylmethanone
PubChem CID165349442
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name[2,5-di(propan-2-yl)phenyl]-phenylmethanone
SMILESCC(C)c1ccc(C(C)C)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H22O/c1-13(2)16-10-11-17(14(3)4)18(12-16)19(20)15-8-6-5-7-9-15/h5-14H,1-4H3
InChIKeyYUPHUFZZCNWKOP-UHFFFAOYSA-N
XLogP5.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate
CID 71377628
(5-methyl-2-propan-2-ylphenyl)-phenylmethanone
CID 617254
2,5-di(propan-2-yl)benzoyl fluoride
CID 45081927
[2-amino-5-(1-hydroxyethyl)phenyl]-phenylmethanone
CID 154157308
[3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone
CID 118052054
(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
CID 123852812
[2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone
CID 63492494
(Z)-4-[2,5-di(propan-2-yl)phenyl]-4-hydroxy-2-oxobut-3-enoic acid
CID 46201055
2-(3-benzoyl-4-chlorophenyl)propanoic acid
CID 135074554
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
1-[3-(3-benzoyl-4-methyl-7-propan-2-ylazulene-1-carbonyl)-8-methyl-5-propan-2-ylazulen-1-yl]ethanone
CID 102042066
2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117345122

Frequently Asked Questions

What is the IUPAC name of [2,5-di(propan-2-yl)phenyl]-phenylmethanone?
The IUPAC name of [2,5-di(propan-2-yl)phenyl]-phenylmethanone (CID 165349442) is [2,5-di(propan-2-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [2,5-di(propan-2-yl)phenyl]-phenylmethanone?
The canonical SMILES for [2,5-di(propan-2-yl)phenyl]-phenylmethanone is CC(C)c1ccc(C(C)C)c(C(=O)c2ccccc2)c1.
What is the InChIKey of [2,5-di(propan-2-yl)phenyl]-phenylmethanone?
The InChIKey is YUPHUFZZCNWKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13(2)16-10-11-17(14(3)4)18(12-16)19(20)15-8-6-5-7-9-15/h5-14H,1-4H3.
What are the key properties of [2,5-di(propan-2-yl)phenyl]-phenylmethanone?
[2,5-di(propan-2-yl)phenyl]-phenylmethanone has a molecular weight of 266.38 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-di(propan-2-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 165349442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).