(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone

C19H22O — CID 170780602

IUPAC(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2cccc(C(C)C)c2)cc1
InChIInChI=1S/C19H22O/c1-13(2)15-8-10-16(11-9-15)19(20)18-7-5-6-17(12-18)14(3)4/h5-14H,1-4H3
InChIKeyTWOYIBLHYGXNSA-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.16
Rot. Bonds4

About (3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone

(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone (PubChem CID 170780602) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is (3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
PubChem CID170780602
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2cccc(C(C)C)c2)cc1
InChIInChI=1S/C19H22O/c1-13(2)15-8-10-16(11-9-15)19(20)18-7-5-6-17(12-18)14(3)4/h5-14H,1-4H3
InChIKeyTWOYIBLHYGXNSA-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

bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone
CID 142574607
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063
CID 66964934
CID 66964934
2-(3-benzoylphenyl)-3-methylbutanoic acid
CID 134119890
CID 157056025
CID 157056025
2-chloro-1-(3-propan-2-ylphenyl)propan-1-one
CID 131009235
N-methylsulfonyl-3-propan-2-ylbenzamide
CID 59434803
sodium (2S)-2-(3-benzoylphenyl)propanoate
CID 67762789
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone (CID 170780602) is (3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)c2cccc(C(C)C)c2)cc1.
What is the InChIKey of (3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is TWOYIBLHYGXNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13(2)15-8-10-16(11-9-15)19(20)18-7-5-6-17(12-18)14(3)4/h5-14H,1-4H3.
What are the key properties of (3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone?
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone 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 (3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 170780602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).