(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one

C17H24O — CID 134922324

IUPAC(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one
SMILESC[C@H](CCc1ccccc1)[C@H]1CCCCCC1=O
InChIInChI=1S/C17H24O/c1-14(12-13-15-8-4-2-5-9-15)16-10-6-3-7-11-17(16)18/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3/t14-,16-/m1/s1
InChIKeyGQPMCKAHIKXUTQ-GDBMZVCRSA-N
MW244.38 g/mol
LogP4.40
Rot. Bonds4

About (2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one

(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one (PubChem CID 134922324) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one.

Molecular Properties

Compound Name(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one
PubChem CID134922324
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one
SMILESC[C@H](CCc1ccccc1)[C@H]1CCCCCC1=O
InChIInChI=1S/C17H24O/c1-14(12-13-15-8-4-2-5-9-15)16-10-6-3-7-11-17(16)18/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3/t14-,16-/m1/s1
InChIKeyGQPMCKAHIKXUTQ-GDBMZVCRSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclamen aldehyde
CID 517827
Benzyl acetone
CID 17355
2-Phenylpropanal
CID 7146
Phenylacetone
CID 7678
1,3-Diphenyl-2-propanone
CID 7593
4-Isopropylacetophenone
CID 12578
4-Methyl-1-phenyl-2-pentanone
CID 219672
3-Phenylbutanal
CID 85979
3-Phenyl-4-pentenal
CID 61243
Cuminyl acetaldehyde
CID 62654
4-(p-Tolyl)-2-butanone
CID 5463908
3-Methyl-2-phenylbutyraldehyde
CID 12255414

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one?
The IUPAC name of (2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one (CID 134922324) is (2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one.
What is the SMILES notation for (2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one?
The canonical SMILES for (2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one is C[C@H](CCc1ccccc1)[C@H]1CCCCCC1=O.
What is the InChIKey of (2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one?
The InChIKey is GQPMCKAHIKXUTQ-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H24O/c1-14(12-13-15-8-4-2-5-9-15)16-10-6-3-7-11-17(16)18/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3/t14-,16-/m1/s1.
What are the key properties of (2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one?
(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one has a molecular weight of 244.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one is sourced from PubChem (CID 134922324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).