5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene

C14H18BrClO2 — CID 63536015

IUPAC5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene
SMILESCOc1cc(CBr)cc(Cl)c1OCC1CCCC1
InChIInChI=1S/C14H18BrClO2/c1-17-13-7-11(8-15)6-12(16)14(13)18-9-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3
InChIKeyVBMBTQRWAJTPEJ-UHFFFAOYSA-N
MW333.65 g/mol
LogP4.81
Rot. Bonds5

About 5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene

5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene (PubChem CID 63536015) has the molecular formula C14H18BrClO2 and a molecular weight of 333.65 g/mol. Its IUPAC name is 5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene.

Molecular Properties

Compound Name5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene
PubChem CID63536015
Molecular FormulaC14H18BrClO2
Molecular Weight333.65 g/mol
Exact Mass332.02
IUPAC Name5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene
SMILESCOc1cc(CBr)cc(Cl)c1OCC1CCCC1
InChIInChI=1S/C14H18BrClO2/c1-17-13-7-11(8-15)6-12(16)14(13)18-9-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3
InChIKeyVBMBTQRWAJTPEJ-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-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

5-(bromomethyl)-1-chloro-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65456921
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine
CID 61344623
1-chloro-5-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65460365
1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63535191
1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene
CID 43622731
N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062164
4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
CID 61343201
2-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]pyrrolidine
CID 117476757
[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63061471
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 61342425

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene?
The IUPAC name of 5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene (CID 63536015) is 5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene.
What is the SMILES notation for 5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene?
The canonical SMILES for 5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene is COc1cc(CBr)cc(Cl)c1OCC1CCCC1.
What is the InChIKey of 5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene?
The InChIKey is VBMBTQRWAJTPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO2/c1-17-13-7-11(8-15)6-12(16)14(13)18-9-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene?
5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene has a molecular weight of 333.65 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene is sourced from PubChem (CID 63536015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).