(3R)-3-methyl-1,3-diphenylpentan-1-one

C18H20O — CID 102205590

IUPAC(3R)-3-methyl-1,3-diphenylpentan-1-one
SMILESCC[C@](C)(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O/c1-3-18(2,16-12-8-5-9-13-16)14-17(19)15-10-6-4-7-11-15/h4-13H,3,14H2,1-2H3/t18-/m1/s1
InChIKeyBJQCJSCKPAXTHQ-GOSISDBHSA-N
MW252.36 g/mol
LogP4.63
Rot. Bonds5

About (3R)-3-methyl-1,3-diphenylpentan-1-one

(3R)-3-methyl-1,3-diphenylpentan-1-one (PubChem CID 102205590) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is (3R)-3-methyl-1,3-diphenylpentan-1-one.

Molecular Properties

Compound Name(3R)-3-methyl-1,3-diphenylpentan-1-one
PubChem CID102205590
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name(3R)-3-methyl-1,3-diphenylpentan-1-one
SMILESCC[C@](C)(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O/c1-3-18(2,16-12-8-5-9-13-16)14-17(19)15-10-6-4-7-11-15/h4-13H,3,14H2,1-2H3/t18-/m1/s1
InChIKeyBJQCJSCKPAXTHQ-GOSISDBHSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6,6-trimethyl-1,3-diphenylheptan-1-one
CID 102429461
3-methyl-4-nitro-1,3-diphenylbutan-1-one
CID 14638021
6-methyl-6-phenyloctan-4-one
CID 142684027
ethane;3-methylpentan-3-ylbenzene
CID 90745317
3,3-dibromo-1,3-diphenylpropan-1-one
CID 175272967
3-amino-3-hydroxy-1-phenylbutan-1-one
CID 141444107
4-chloro-3,3,4-trimethyl-1-phenylpentan-1-one
CID 20642468
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707
1-phenyl(111C)propan-1-one
CID 11159350
2-phenacyl-2-phenylpropanedial
CID 175444896
methyl 2,2-dimethyl-4-oxo-4-phenylbutanoate
CID 18948507
3,3-dimethyl-1-phenylpent-4-en-1-one
CID 14397690

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1,3-diphenylpentan-1-one?
The IUPAC name of (3R)-3-methyl-1,3-diphenylpentan-1-one (CID 102205590) is (3R)-3-methyl-1,3-diphenylpentan-1-one.
What is the SMILES notation for (3R)-3-methyl-1,3-diphenylpentan-1-one?
The canonical SMILES for (3R)-3-methyl-1,3-diphenylpentan-1-one is CC[C@](C)(CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-methyl-1,3-diphenylpentan-1-one?
The InChIKey is BJQCJSCKPAXTHQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20O/c1-3-18(2,16-12-8-5-9-13-16)14-17(19)15-10-6-4-7-11-15/h4-13H,3,14H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-3-methyl-1,3-diphenylpentan-1-one?
(3R)-3-methyl-1,3-diphenylpentan-1-one has a molecular weight of 252.36 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1,3-diphenylpentan-1-one is sourced from PubChem (CID 102205590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).