(3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol

C16H17ClOS — CID 107359518

IUPAC(3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol
SMILESOC(c1sccc1Cl)C1(c2ccccc2)CCCC1
InChIInChI=1S/C16H17ClOS/c17-13-8-11-19-14(13)15(18)16(9-4-5-10-16)12-6-2-1-3-7-12/h1-3,6-8,11,15,18H,4-5,9-10H2
InChIKeyGLNABJPUYMKQJY-UHFFFAOYSA-N
MW292.83 g/mol
LogP4.95
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol

(3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol (PubChem CID 107359518) has the molecular formula C16H17ClOS and a molecular weight of 292.83 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol
PubChem CID107359518
Molecular FormulaC16H17ClOS
Molecular Weight292.83 g/mol
Exact Mass292.07
IUPAC Name(3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol
SMILESOC(c1sccc1Cl)C1(c2ccccc2)CCCC1
InChIInChI=1S/C16H17ClOS/c17-13-8-11-19-14(13)15(18)16(9-4-5-10-16)12-6-2-1-3-7-12/h1-3,6-8,11,15,18H,4-5,9-10H2
InChIKeyGLNABJPUYMKQJY-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol (CID 107359518) is (3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol is OC(c1sccc1Cl)C1(c2ccccc2)CCCC1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol?
The InChIKey is GLNABJPUYMKQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClOS/c17-13-8-11-19-14(13)15(18)16(9-4-5-10-16)12-6-2-1-3-7-12/h1-3,6-8,11,15,18H,4-5,9-10H2.
What are the key properties of (3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol?
(3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol has a molecular weight of 292.83 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol is sourced from PubChem (CID 107359518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).