1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol

C15H21ClO — CID 106866634

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol
SMILESCCC1CCCC1(O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C15H21ClO/c1-3-13-5-4-8-15(13,17)10-12-7-6-11(2)9-14(12)16/h6-7,9,13,17H,3-5,8,10H2,1-2H3
InChIKeyJEMVDPLSHOUSCF-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.13
Rot. Bonds3

About 1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol

1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol (PubChem CID 106866634) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol
PubChem CID106866634
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol
SMILESCCC1CCCC1(O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C15H21ClO/c1-3-13-5-4-8-15(13,17)10-12-7-6-11(2)9-14(12)16/h6-7,9,13,17H,3-5,8,10H2,1-2H3
InChIKeyJEMVDPLSHOUSCF-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 106866029
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol
CID 103039179
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
CID 106870584
1-[(2,6-dichlorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65149113
3-[(2-chloro-4-methylphenyl)methyl]-3-fluorocyclohexan-1-amine
CID 106871133
1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine
CID 106870484
1-[(2-chloro-4-methylphenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 106870540
1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65148904
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 106869506
1-[(2-chloro-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 106865439
4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol
CID 106866348

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol (CID 106866634) is 1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol is CCC1CCCC1(O)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol?
The InChIKey is JEMVDPLSHOUSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-3-13-5-4-8-15(13,17)10-12-7-6-11(2)9-14(12)16/h6-7,9,13,17H,3-5,8,10H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol?
1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol has a molecular weight of 252.78 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol is sourced from PubChem (CID 106866634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).