(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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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).