4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene

C12H14Cl2O — CID 66034885

IUPAC4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1CC1(CCl)CC1
InChIInChI=1S/C12H14Cl2O/c1-15-11-3-2-10(14)6-9(11)7-12(8-13)4-5-12/h2-3,6H,4-5,7-8H2,1H3
InChIKeyZQKNJXQKJJHWNA-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.91
Rot. Bonds4

About 4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene

4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene (PubChem CID 66034885) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is 4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
PubChem CID66034885
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1CC1(CCl)CC1
InChIInChI=1S/C12H14Cl2O/c1-15-11-3-2-10(14)6-9(11)7-12(8-13)4-5-12/h2-3,6H,4-5,7-8H2,1H3
InChIKeyZQKNJXQKJJHWNA-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene 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

N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023806
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194491
1-(5-chloro-2-methoxyphenyl)-N-[[1-(chloromethyl)cyclopentyl]methyl]methanamine
CID 113294642
4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196229
1-[3-[(5-chloro-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 55111253
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676
4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine
CID 112563142
3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65147101
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene?
The IUPAC name of 4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene (CID 66034885) is 4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene is COc1ccc(Cl)cc1CC1(CCl)CC1.
What is the InChIKey of 4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene?
The InChIKey is ZQKNJXQKJJHWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O/c1-15-11-3-2-10(14)6-9(11)7-12(8-13)4-5-12/h2-3,6H,4-5,7-8H2,1H3.
What are the key properties of 4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene?
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene has a molecular weight of 245.15 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene is sourced from PubChem (CID 66034885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).