(3-chlorocyclopenten-1-yl)methylbenzene

C12H13Cl — CID 65176706

IUPAC(3-chlorocyclopenten-1-yl)methylbenzene
SMILESClC1C=C(Cc2ccccc2)CC1
InChIInChI=1S/C12H13Cl/c13-12-7-6-11(9-12)8-10-4-2-1-3-5-10/h1-5,9,12H,6-8H2
InChIKeyCOTRIHAHKDZADW-UHFFFAOYSA-N
MW192.69 g/mol
LogP3.56
Rot. Bonds2

About (3-chlorocyclopenten-1-yl)methylbenzene

(3-chlorocyclopenten-1-yl)methylbenzene (PubChem CID 65176706) has the molecular formula C12H13Cl and a molecular weight of 192.69 g/mol. Its IUPAC name is (3-chlorocyclopenten-1-yl)methylbenzene.

Molecular Properties

Compound Name(3-chlorocyclopenten-1-yl)methylbenzene
PubChem CID65176706
Molecular FormulaC12H13Cl
Molecular Weight192.69 g/mol
Exact Mass192.07
IUPAC Name(3-chlorocyclopenten-1-yl)methylbenzene
SMILESClC1C=C(Cc2ccccc2)CC1
InChIInChI=1S/C12H13Cl/c13-12-7-6-11(9-12)8-10-4-2-1-3-5-10/h1-5,9,12H,6-8H2
InChIKeyCOTRIHAHKDZADW-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[(3-chlorocyclopenten-1-yl)methyl]benzene
CID 65176319
2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene
CID 130537389
1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene
CID 65174071
2-(3-chlorocyclohexen-1-yl)ethylbenzene
CID 65177340
1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene
CID 65177498
3-chloro-1-(methoxymethyl)cyclopentene
CID 79576989
2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene
CID 65176426
3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene
CID 65176592
(3-chlorocyclopenten-1-yl)methylcyclohexane
CID 65175889
4-benzylcyclohexa-1,3-dien-1-ol
CID 143568768
phenyl(113C)methylbenzene
CID 11194569
(4E)-5-benzylcyclooct-4-en-1-ol
CID 22319857

Frequently Asked Questions

What is the IUPAC name of (3-chlorocyclopenten-1-yl)methylbenzene?
The IUPAC name of (3-chlorocyclopenten-1-yl)methylbenzene (CID 65176706) is (3-chlorocyclopenten-1-yl)methylbenzene.
What is the SMILES notation for (3-chlorocyclopenten-1-yl)methylbenzene?
The canonical SMILES for (3-chlorocyclopenten-1-yl)methylbenzene is ClC1C=C(Cc2ccccc2)CC1.
What is the InChIKey of (3-chlorocyclopenten-1-yl)methylbenzene?
The InChIKey is COTRIHAHKDZADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl/c13-12-7-6-11(9-12)8-10-4-2-1-3-5-10/h1-5,9,12H,6-8H2.
What are the key properties of (3-chlorocyclopenten-1-yl)methylbenzene?
(3-chlorocyclopenten-1-yl)methylbenzene has a molecular weight of 192.69 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorocyclopenten-1-yl)methylbenzene is sourced from PubChem (CID 65176706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).