1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene

C19H19Cl — CID 69123397

IUPAC1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene
SMILESCC1(C)CC(c2ccccc2)=C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19Cl/c1-19(2)12-17(14-6-4-3-5-7-14)18(13-19)15-8-10-16(20)11-9-15/h3-11H,12-13H2,1-2H3
InChIKeyFYRYPRJESKKODJ-UHFFFAOYSA-N
MW282.81 g/mol
LogP6.07
Rot. Bonds2

About 1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene

1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene (PubChem CID 69123397) has the molecular formula C19H19Cl and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene.

Molecular Properties

Compound Name1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene
PubChem CID69123397
Molecular FormulaC19H19Cl
Molecular Weight282.81 g/mol
Exact Mass282.12
IUPAC Name1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene
SMILESCC1(C)CC(c2ccccc2)=C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19Cl/c1-19(2)12-17(14-6-4-3-5-7-14)18(13-19)15-8-10-16(20)11-9-15/h3-11H,12-13H2,1-2H3
InChIKeyFYRYPRJESKKODJ-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.81
LogP ≤ 56.07
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

1-[2-(4-chlorophenyl)-4,4-dimethylcyclopenten-1-yl]-4-methylsulfonylbenzene
CID 10155469
1-chloro-4-phenylbenzene;ethanamine
CID 174641678
5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one
CID 142736509
1-chloro-4-methylbenzene;1-methylsulfonyl-4-(2,4,4-trimethylcyclopenten-1-yl)benzene
CID 142970865
ethyl 2-(4-chlorophenyl)-4,4-dimethylcyclopentene-1-carboxylate
CID 67226513
(9R)-9-(4-chlorophenyl)-9-methyl-7-phenyl-1,2,3,4-tetrahydrofluorene
CID 138976563
1-chloro-4-phenylbenzene;isocyanic acid
CID 172802258
4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59025088
1-chloro-4-phenylbenzene;methyl formate
CID 175142329
1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole
CID 11484354
N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 153085376
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene?
The IUPAC name of 1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene (CID 69123397) is 1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene.
What is the SMILES notation for 1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene?
The canonical SMILES for 1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene is CC1(C)CC(c2ccccc2)=C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene?
The InChIKey is FYRYPRJESKKODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl/c1-19(2)12-17(14-6-4-3-5-7-14)18(13-19)15-8-10-16(20)11-9-15/h3-11H,12-13H2,1-2H3.
What are the key properties of 1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene?
1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene has a molecular weight of 282.81 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene is sourced from PubChem (CID 69123397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).