[(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene

C19H20 — CID 101214144

IUPAC[(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene
SMILESC[C@@H]1C(c2ccccc2)=C(c2ccccc2)C[C@@H]1C
InChIInChI=1S/C19H20/c1-14-13-18(16-9-5-3-6-10-16)19(15(14)2)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3/t14-,15-/m0/s1
InChIKeyPKZNVGVFHPNNEV-GJZGRUSLSA-N
MW248.37 g/mol
LogP5.27
Rot. Bonds2

About [(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene

[(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene (PubChem CID 101214144) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is [(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene.

Molecular Properties

Compound Name[(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene
PubChem CID101214144
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name[(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene
SMILESC[C@@H]1C(c2ccccc2)=C(c2ccccc2)C[C@@H]1C
InChIInChI=1S/C19H20/c1-14-13-18(16-9-5-3-6-10-16)19(15(14)2)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3/t14-,15-/m0/s1
InChIKeyPKZNVGVFHPNNEV-GJZGRUSLSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(2-fluoro-4-methylcyclopenten-1-yl)benzene
CID 15529228
2,4-dimethyl-3-phenylcyclopent-2-en-1-one
CID 14758486
(4-methylcyclobuten-1-yl)benzene
CID 173414108
(4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine
CID 101352377
1,1'-biphenyl;2-methyloxirane
CID 87315109
2,3-diphenylbicyclo[2.2.1]hept-2-ene
CID 14908753
sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene
CID 159799333
2,3-diphenylcycloprop-2-ene-1-carbaldehyde
CID 12749987
(1S)-7-(4-methylphenyl)-8-phenylbicyclo[4.2.1]nona-2,4,7-triene
CID 102499927
(1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol
CID 130290357
methyl 2,3,4,5-tetraphenylcyclohexa-2,4-diene-1-carboxylate
CID 134900005
benzene;1,1'-biphenyl;ethane
CID 158550617

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene?
The IUPAC name of [(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene (CID 101214144) is [(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene.
What is the SMILES notation for [(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene?
The canonical SMILES for [(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene is C[C@@H]1C(c2ccccc2)=C(c2ccccc2)C[C@@H]1C.
What is the InChIKey of [(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene?
The InChIKey is PKZNVGVFHPNNEV-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H20/c1-14-13-18(16-9-5-3-6-10-16)19(15(14)2)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of [(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene?
[(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene has a molecular weight of 248.37 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene is sourced from PubChem (CID 101214144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).