1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol

C14H21ClOS — CID 65147671

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C14H21ClOS/c1-2-3-11-6-8-14(16,9-7-11)10-12-4-5-13(15)17-12/h4-5,11,16H,2-3,6-10H2,1H3
InChIKeyBKLNIZVTTMCFAO-UHFFFAOYSA-N
MW272.84 g/mol
LogP4.67
Rot. Bonds4

About 1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol

1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol (PubChem CID 65147671) has the molecular formula C14H21ClOS and a molecular weight of 272.84 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
PubChem CID65147671
Molecular FormulaC14H21ClOS
Molecular Weight272.84 g/mol
Exact Mass272.10
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C14H21ClOS/c1-2-3-11-6-8-14(16,9-7-11)10-12-4-5-13(15)17-12/h4-5,11,16H,2-3,6-10H2,1H3
InChIKeyBKLNIZVTTMCFAO-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]cycloheptan-1-ol
CID 65147193
1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 107307327
1-(furan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 83171205
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol
CID 65147469
1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151513
1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090405
4-[(5-chlorothiophen-2-yl)methyl]-1-ethylazepan-4-ol
CID 65153829
3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol
CID 65146101
3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol
CID 65146833
4-[(5-chlorothiophen-2-yl)methyl]azepan-4-ol
CID 103982903
1-[(5-chlorothiophen-2-yl)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 65413094
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090912

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol (CID 65147671) is 1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol?
The InChIKey is BKLNIZVTTMCFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClOS/c1-2-3-11-6-8-14(16,9-7-11)10-12-4-5-13(15)17-12/h4-5,11,16H,2-3,6-10H2,1H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol?
1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol has a molecular weight of 272.84 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 65147671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).