4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene

C14H19ClO — CID 82084196

IUPAC4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene
SMILESCOc1ccc(C2(CCl)CCCC2)cc1C
InChIInChI=1S/C14H19ClO/c1-11-9-12(5-6-13(11)16-2)14(10-15)7-3-4-8-14/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyAVPPSOQHTREVKB-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.05
Rot. Bonds3

About 4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene

4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene (PubChem CID 82084196) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene.

Molecular Properties

Compound Name4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene
PubChem CID82084196
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene
SMILESCOc1ccc(C2(CCl)CCCC2)cc1C
InChIInChI=1S/C14H19ClO/c1-11-9-12(5-6-13(11)16-2)14(10-15)7-3-4-8-14/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyAVPPSOQHTREVKB-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.05
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

4-(1-ethylcyclopentyl)-1-methoxy-2-methylbenzene
CID 143033175
4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene
CID 82092119
4-[1-(isocyanatomethyl)cyclohexyl]-1-methoxy-2-methylbenzene
CID 82089891
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde
CID 82127349
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene
CID 167577887
1-(4-methoxy-3-methylphenyl)cyclopropane-1-carbaldehyde
CID 82125542
4-(1-isocyanatocyclohexyl)-1-methoxy-2-methylbenzene
CID 82085805
1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene
CID 82094186
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
CID 116844399
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225

Frequently Asked Questions

What is the IUPAC name of 4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene?
The IUPAC name of 4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene (CID 82084196) is 4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene.
What is the SMILES notation for 4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene?
The canonical SMILES for 4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene is COc1ccc(C2(CCl)CCCC2)cc1C.
What is the InChIKey of 4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene?
The InChIKey is AVPPSOQHTREVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-11-9-12(5-6-13(11)16-2)14(10-15)7-3-4-8-14/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of 4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene?
4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene has a molecular weight of 238.76 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene is sourced from PubChem (CID 82084196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).