3-(4-propylphenyl)cyclopentane-1-carbonyl chloride

C15H19ClO — CID 154308321

IUPAC3-(4-propylphenyl)cyclopentane-1-carbonyl chloride
SMILESCCCc1ccc(C2CCC(C(=O)Cl)C2)cc1
InChIInChI=1S/C15H19ClO/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(10-13)15(16)17/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyVDPKVPPAOVXQLJ-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.29
Rot. Bonds4

About 3-(4-propylphenyl)cyclopentane-1-carbonyl chloride

3-(4-propylphenyl)cyclopentane-1-carbonyl chloride (PubChem CID 154308321) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-(4-propylphenyl)cyclopentane-1-carbonyl chloride.

Molecular Properties

Compound Name3-(4-propylphenyl)cyclopentane-1-carbonyl chloride
PubChem CID154308321
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name3-(4-propylphenyl)cyclopentane-1-carbonyl chloride
SMILESCCCc1ccc(C2CCC(C(=O)Cl)C2)cc1
InChIInChI=1S/C15H19ClO/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(10-13)15(16)17/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyVDPKVPPAOVXQLJ-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 56620245
1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene
CID 56985726
2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate
CID 18659034
2-(4-methylcyclohexyl)-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837511
4-[4-(4-pentylphenyl)cyclohexyl]benzoyl chloride
CID 21318438
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
1-(3-bromocyclohexyl)-4-propylbenzene
CID 64506484
(E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid
CID 67642965
2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
CID 141384048
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylphenyl)cyclopentane-1-carbonyl chloride?
The IUPAC name of 3-(4-propylphenyl)cyclopentane-1-carbonyl chloride (CID 154308321) is 3-(4-propylphenyl)cyclopentane-1-carbonyl chloride.
What is the SMILES notation for 3-(4-propylphenyl)cyclopentane-1-carbonyl chloride?
The canonical SMILES for 3-(4-propylphenyl)cyclopentane-1-carbonyl chloride is CCCc1ccc(C2CCC(C(=O)Cl)C2)cc1.
What is the InChIKey of 3-(4-propylphenyl)cyclopentane-1-carbonyl chloride?
The InChIKey is VDPKVPPAOVXQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(10-13)15(16)17/h4-7,13-14H,2-3,8-10H2,1H3.
What are the key properties of 3-(4-propylphenyl)cyclopentane-1-carbonyl chloride?
3-(4-propylphenyl)cyclopentane-1-carbonyl chloride has a molecular weight of 250.77 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylphenyl)cyclopentane-1-carbonyl chloride is sourced from PubChem (CID 154308321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).