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

C13H19ClOS — CID 107359543

IUPAC(3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol
SMILESCC1(C)CCC(C(O)c2sccc2Cl)CC1
InChIInChI=1S/C13H19ClOS/c1-13(2)6-3-9(4-7-13)11(15)12-10(14)5-8-16-12/h5,8-9,11,15H,3-4,6-7H2,1-2H3
InChIKeyAJLLQXVDGMTAAU-UHFFFAOYSA-N
MW258.81 g/mol
LogP4.65
Rot. Bonds2

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

(3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol (PubChem CID 107359543) has the molecular formula C13H19ClOS and a molecular weight of 258.81 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol
PubChem CID107359543
Molecular FormulaC13H19ClOS
Molecular Weight258.81 g/mol
Exact Mass258.08
IUPAC Name(3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol
SMILESCC1(C)CCC(C(O)c2sccc2Cl)CC1
InChIInChI=1S/C13H19ClOS/c1-13(2)6-3-9(4-7-13)11(15)12-10(14)5-8-16-12/h5,8-9,11,15H,3-4,6-7H2,1-2H3
InChIKeyAJLLQXVDGMTAAU-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol
CID 102831356
1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol
CID 83148451
(4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol
CID 105112974
(3-chlorothiophen-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
CID 107359569
3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene
CID 83148975
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol
CID 115789625
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol
CID 107359630
3-chloro-2-[chloro(cyclobutyl)methyl]thiophene
CID 80530412
(3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol
CID 107359583
1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 80529179
(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol
CID 107359647

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol (CID 107359543) is (3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol is CC1(C)CCC(C(O)c2sccc2Cl)CC1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol?
The InChIKey is AJLLQXVDGMTAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClOS/c1-13(2)6-3-9(4-7-13)11(15)12-10(14)5-8-16-12/h5,8-9,11,15H,3-4,6-7H2,1-2H3.
What are the key properties of (3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol?
(3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol has a molecular weight of 258.81 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 107359543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).