1-chloro-4-[(1-methylcyclopropyl)methyl]benzene

C11H13Cl — CID 134855306

IUPAC1-chloro-4-[(1-methylcyclopropyl)methyl]benzene
SMILESCC1(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H13Cl/c1-11(6-7-11)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3
InChIKeyZNKSCGRCCAPWSI-UHFFFAOYSA-N
MW180.68 g/mol
LogP3.68
Rot. Bonds2

About 1-chloro-4-[(1-methylcyclopropyl)methyl]benzene

1-chloro-4-[(1-methylcyclopropyl)methyl]benzene (PubChem CID 134855306) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 1-chloro-4-[(1-methylcyclopropyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(1-methylcyclopropyl)methyl]benzene
PubChem CID134855306
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name1-chloro-4-[(1-methylcyclopropyl)methyl]benzene
SMILESCC1(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H13Cl/c1-11(6-7-11)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3
InChIKeyZNKSCGRCCAPWSI-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-4-[(1-methylcyclopropyl)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699934
2-[(4-chlorophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 117228367
1-[1-[(4-chlorophenyl)methyl]cyclopropyl]ethanone
CID 14700145
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chlorobenzene
CID 66049339
4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride
CID 66873031
1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine
CID 68892096
1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64516003
1-[1-[(4-chlorophenyl)methyl]cyclopropyl]-N-ethylethanamine
CID 106797878
1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile
CID 65377832
[5-[(4-chlorophenyl)methyl]-2,2-dimethyl-6-oxabicyclo[3.1.0]hexan-1-yl]methanol;methanesulfonic acid
CID 19020747
3-[(4-chlorophenyl)methyl]oxolan-3-amine
CID 65019655
3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine
CID 83821387

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(1-methylcyclopropyl)methyl]benzene?
The IUPAC name of 1-chloro-4-[(1-methylcyclopropyl)methyl]benzene (CID 134855306) is 1-chloro-4-[(1-methylcyclopropyl)methyl]benzene.
What is the SMILES notation for 1-chloro-4-[(1-methylcyclopropyl)methyl]benzene?
The canonical SMILES for 1-chloro-4-[(1-methylcyclopropyl)methyl]benzene is CC1(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-chloro-4-[(1-methylcyclopropyl)methyl]benzene?
The InChIKey is ZNKSCGRCCAPWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-11(6-7-11)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3.
What are the key properties of 1-chloro-4-[(1-methylcyclopropyl)methyl]benzene?
1-chloro-4-[(1-methylcyclopropyl)methyl]benzene has a molecular weight of 180.68 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(1-methylcyclopropyl)methyl]benzene is sourced from PubChem (CID 134855306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).