3-(3-chloro-1-methylcyclopentyl)propoxybenzene

C15H21ClO — CID 116540356

IUPAC3-(3-chloro-1-methylcyclopentyl)propoxybenzene
SMILESCC1(CCCOc2ccccc2)CCC(Cl)C1
InChIInChI=1S/C15H21ClO/c1-15(10-8-13(16)12-15)9-5-11-17-14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3
InChIKeyQYRYVQSLZMBHHT-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.64
Rot. Bonds5

About 3-(3-chloro-1-methylcyclopentyl)propoxybenzene

3-(3-chloro-1-methylcyclopentyl)propoxybenzene (PubChem CID 116540356) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 3-(3-chloro-1-methylcyclopentyl)propoxybenzene.

Molecular Properties

Compound Name3-(3-chloro-1-methylcyclopentyl)propoxybenzene
PubChem CID116540356
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name3-(3-chloro-1-methylcyclopentyl)propoxybenzene
SMILESCC1(CCCOc2ccccc2)CCC(Cl)C1
InChIInChI=1S/C15H21ClO/c1-15(10-8-13(16)12-15)9-5-11-17-14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3
InChIKeyQYRYVQSLZMBHHT-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine
CID 55157069
3-methyl-1-(3-phenoxypropyl)cyclopentane-1-carbonitrile
CID 65401453
[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187
4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid
CID 65393665
1-[1-(3-phenoxypropyl)cyclopropyl]ethanol
CID 106798155
8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961165
1-(3-phenoxypropyl)cycloheptan-1-amine
CID 62937840
8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954986
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
CID 106662463
3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine
CID 114631848
1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid
CID 66025511

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1-methylcyclopentyl)propoxybenzene?
The IUPAC name of 3-(3-chloro-1-methylcyclopentyl)propoxybenzene (CID 116540356) is 3-(3-chloro-1-methylcyclopentyl)propoxybenzene.
What is the SMILES notation for 3-(3-chloro-1-methylcyclopentyl)propoxybenzene?
The canonical SMILES for 3-(3-chloro-1-methylcyclopentyl)propoxybenzene is CC1(CCCOc2ccccc2)CCC(Cl)C1.
What is the InChIKey of 3-(3-chloro-1-methylcyclopentyl)propoxybenzene?
The InChIKey is QYRYVQSLZMBHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-15(10-8-13(16)12-15)9-5-11-17-14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3.
What are the key properties of 3-(3-chloro-1-methylcyclopentyl)propoxybenzene?
3-(3-chloro-1-methylcyclopentyl)propoxybenzene has a molecular weight of 252.78 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1-methylcyclopentyl)propoxybenzene is sourced from PubChem (CID 116540356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).