1-(5-chlorothiophen-2-yl)cyclohexan-1-ol

C10H13ClOS — CID 19908892

IUPAC1-(5-chlorothiophen-2-yl)cyclohexan-1-ol
SMILESOC1(c2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C10H13ClOS/c11-9-5-4-8(13-9)10(12)6-2-1-3-7-10/h4-5,12H,1-3,6-7H2
InChIKeyBANBLVKFNZDMHP-UHFFFAOYSA-N
MW216.73 g/mol
LogP3.55
Rot. Bonds1

About 1-(5-chlorothiophen-2-yl)cyclohexan-1-ol

1-(5-chlorothiophen-2-yl)cyclohexan-1-ol (PubChem CID 19908892) has the molecular formula C10H13ClOS and a molecular weight of 216.73 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)cyclohexan-1-ol
PubChem CID19908892
Molecular FormulaC10H13ClOS
Molecular Weight216.73 g/mol
Exact Mass216.04
IUPAC Name1-(5-chlorothiophen-2-yl)cyclohexan-1-ol
SMILESOC1(c2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C10H13ClOS/c11-9-5-4-8(13-9)10(12)6-2-1-3-7-10/h4-5,12H,1-3,6-7H2
InChIKeyBANBLVKFNZDMHP-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Chlorophenyl)-1-(2-thienyl)-1-propanol
CID 2768269
5-Chloro-alpha,alpha-dimethyl-2-thiophenemethanol
CID 79001600
1-(5-Chloro-2-thienyl)-2-methyl-2-propanol
CID 818999
1-(5-Chlorothiophen-2-yl)cyclobutan-1-ol
CID 80289053
(5-Chlorothiophen-2-yl)-phenylmethanol
CID 20867537
(R)-(3-chlorophenyl)-thiophen-2-ylmethanol
CID 46704206
(R)-(4-chlorophenyl)-thiophen-2-ylmethanol
CID 93344565
(S)-(4-chlorophenyl)-thiophen-2-ylmethanol
CID 46914852
(5-Chlorothiophen-2-yl)-(4-fluorophenyl)methanol
CID 61088932
1-(3-Chlorophenyl)-2,2,2-trifluoro-1-thiophen-2-ylethanol
CID 140304010
1-(2-Chlorophenyl)-2,2,2-trifluoro-1-thiophen-3-ylethanol
CID 140304072
1-(4-Chlorophenyl)-2,2,2-trifluoro-1-thiophen-2-ylethanol
CID 140304192

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)cyclohexan-1-ol (CID 19908892) is 1-(5-chlorothiophen-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)cyclohexan-1-ol is OC1(c2ccc(Cl)s2)CCCCC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)cyclohexan-1-ol?
The InChIKey is BANBLVKFNZDMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClOS/c11-9-5-4-8(13-9)10(12)6-2-1-3-7-10/h4-5,12H,1-3,6-7H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)cyclohexan-1-ol?
1-(5-chlorothiophen-2-yl)cyclohexan-1-ol has a molecular weight of 216.73 g/mol, XLogP of 3.55, 1 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)cyclohexan-1-ol is sourced from PubChem (CID 19908892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).