cis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one

C20H20O — CID 101083109

IUPACcis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one
SMILESC=C(c1ccccc1)[C@]1(C)CC(=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H20O/c1-15(16-9-5-3-6-10-16)20(2)14-18(21)13-19(20)17-11-7-4-8-12-17/h3-12,19H,1,13-14H2,2H3/t19-,20+/m1/s1
InChIKeyMENJPUHPXPLTKC-UXHICEINSA-N
MW276.38 g/mol
LogP4.85
Rot. Bonds3

About cis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one

cis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one (PubChem CID 101083109) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is cis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one.

Molecular Properties

Compound Namecis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one
PubChem CID101083109
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Namecis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one
SMILESC=C(c1ccccc1)[C@]1(C)CC(=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H20O/c1-15(16-9-5-3-6-10-16)20(2)14-18(21)13-19(20)17-11-7-4-8-12-17/h3-12,19H,1,13-14H2,2H3/t19-,20+/m1/s1
InChIKeyMENJPUHPXPLTKC-UXHICEINSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one?
The IUPAC name of cis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one (CID 101083109) is cis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one.
What is the SMILES notation for cis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one?
The canonical SMILES for cis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one is C=C(c1ccccc1)[C@]1(C)CC(=O)C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one?
The InChIKey is MENJPUHPXPLTKC-UXHICEINSA-N. The full InChI is InChI=1S/C20H20O/c1-15(16-9-5-3-6-10-16)20(2)14-18(21)13-19(20)17-11-7-4-8-12-17/h3-12,19H,1,13-14H2,2H3/t19-,20+/m1/s1.
What are the key properties of cis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one?
cis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one has a molecular weight of 276.38 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one is sourced from PubChem (CID 101083109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).