4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene

C14H18BrClO — CID 63439505

IUPAC4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
SMILESCOc1ccc(C(Br)CC2CCCC2)cc1Cl
InChIInChI=1S/C14H18BrClO/c1-17-14-7-6-11(9-13(14)16)12(15)8-10-4-2-3-5-10/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyQXPGLETXJCEABK-UHFFFAOYSA-N
MW317.65 g/mol
LogP5.36
Rot. Bonds4

About 4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene

4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene (PubChem CID 63439505) has the molecular formula C14H18BrClO and a molecular weight of 317.65 g/mol. Its IUPAC name is 4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene.

Molecular Properties

Compound Name4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
PubChem CID63439505
Molecular FormulaC14H18BrClO
Molecular Weight317.65 g/mol
Exact Mass316.02
IUPAC Name4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
SMILESCOc1ccc(C(Br)CC2CCCC2)cc1Cl
InChIInChI=1S/C14H18BrClO/c1-17-14-7-6-11(9-13(14)16)12(15)8-10-4-2-3-5-10/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyQXPGLETXJCEABK-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.65
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 62590019
2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol
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1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine
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(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
CID 65026921
2-(3-chloro-4-methoxyphenyl)-2-cyclohexylacetonitrile
CID 82091396
3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine
CID 112508997
3-[bromo-(3-chloro-4-methoxyphenyl)methyl]oxolane
CID 61277302
4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene
CID 63439985
3-chloro-N-(cyclopentylmethyl)-4-methoxyaniline
CID 61342616
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CID 65384153

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene?
The IUPAC name of 4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene (CID 63439505) is 4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene.
What is the SMILES notation for 4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene?
The canonical SMILES for 4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene is COc1ccc(C(Br)CC2CCCC2)cc1Cl.
What is the InChIKey of 4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene?
The InChIKey is QXPGLETXJCEABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO/c1-17-14-7-6-11(9-13(14)16)12(15)8-10-4-2-3-5-10/h6-7,9-10,12H,2-5,8H2,1H3.
What are the key properties of 4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene?
4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene has a molecular weight of 317.65 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene is sourced from PubChem (CID 63439505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).