(5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol

C13H19ClOS — CID 64738002

IUPAC(5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol
SMILESCC1CCC(C(O)c2ccc(Cl)s2)CC1C
InChIInChI=1S/C13H19ClOS/c1-8-3-4-10(7-9(8)2)13(15)11-5-6-12(14)16-11/h5-6,8-10,13,15H,3-4,7H2,1-2H3
InChIKeyYCRSMSGNGRRMIZ-UHFFFAOYSA-N
MW258.81 g/mol
LogP4.51
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol

(5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol (PubChem CID 64738002) has the molecular formula C13H19ClOS and a molecular weight of 258.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol
PubChem CID64738002
Molecular FormulaC13H19ClOS
Molecular Weight258.81 g/mol
Exact Mass258.08
IUPAC Name(5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol
SMILESCC1CCC(C(O)c2ccc(Cl)s2)CC1C
InChIInChI=1S/C13H19ClOS/c1-8-3-4-10(7-9(8)2)13(15)11-5-6-12(14)16-11/h5-6,8-10,13,15H,3-4,7H2,1-2H3
InChIKeyYCRSMSGNGRRMIZ-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.81
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol
CID 64739414
(3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol
CID 64739213
(5-chlorothiophen-2-yl)-(5-methyloxolan-2-yl)methanol
CID 81330692
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol
CID 82076672
1-(5-chlorothiophen-2-yl)-1-(3,4-dimethylcyclohexyl)oxybutan-2-amine
CID 64745900
(3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol
CID 115806226
(5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79913942
(3,4-dimethylcyclohexyl)-(3-methylphenyl)methanol
CID 64739613
2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene
CID 107182037
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine
CID 64910199
(3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol
CID 106886249

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol (CID 64738002) is (5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol is CC1CCC(C(O)c2ccc(Cl)s2)CC1C.
What is the InChIKey of (5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol?
The InChIKey is YCRSMSGNGRRMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClOS/c1-8-3-4-10(7-9(8)2)13(15)11-5-6-12(14)16-11/h5-6,8-10,13,15H,3-4,7H2,1-2H3.
What are the key properties of (5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol?
(5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol has a molecular weight of 258.81 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 64738002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).