(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol

C15H17ClOS — CID 115838197

IUPAC(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1cccc(C(O)c2sccc2Cl)c1
InChIInChI=1S/C15H17ClOS/c1-10(2)8-11-4-3-5-12(9-11)14(17)15-13(16)6-7-18-15/h3-7,9-10,14,17H,8H2,1-2H3
InChIKeyKUHOLXHZIFMGLY-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.68
Rot. Bonds4

About (3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol

(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol (PubChem CID 115838197) has the molecular formula C15H17ClOS and a molecular weight of 280.82 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
PubChem CID115838197
Molecular FormulaC15H17ClOS
Molecular Weight280.82 g/mol
Exact Mass280.07
IUPAC Name(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1cccc(C(O)c2sccc2Cl)c1
InChIInChI=1S/C15H17ClOS/c1-10(2)8-11-4-3-5-12(9-11)14(17)15-13(16)6-7-18-15/h3-7,9-10,14,17H,8H2,1-2H3
InChIKeyKUHOLXHZIFMGLY-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol
CID 115838108
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838225
(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838226
(3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine
CID 105018799
(4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 105131171
[3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol
CID 116543760
[3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol
CID 116542846
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
CID 116542777
(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116543738
[4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol
CID 61099824
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050742

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol (CID 115838197) is (3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol is CC(C)Cc1cccc(C(O)c2sccc2Cl)c1.
What is the InChIKey of (3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol?
The InChIKey is KUHOLXHZIFMGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClOS/c1-10(2)8-11-4-3-5-12(9-11)14(17)15-13(16)6-7-18-15/h3-7,9-10,14,17H,8H2,1-2H3.
What are the key properties of (3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol?
(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol has a molecular weight of 280.82 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 115838197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).