(2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol

C16H22ClNO2 — CID 79060021

IUPAC(2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol
SMILESOC(c1ccccc1Cl)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C16H22ClNO2/c17-14-6-2-1-5-13(14)15(19)16(7-3-4-8-16)18-9-11-20-12-10-18/h1-2,5-6,15,19H,3-4,7-12H2
InChIKeyXBMWVXSPWXWHDW-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.02
Rot. Bonds3

About (2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol

(2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol (PubChem CID 79060021) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol
PubChem CID79060021
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name(2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol
SMILESOC(c1ccccc1Cl)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C16H22ClNO2/c17-14-6-2-1-5-13(14)15(19)16(7-3-4-8-16)18-9-11-20-12-10-18/h1-2,5-6,15,19H,3-4,7-12H2
InChIKeyXBMWVXSPWXWHDW-UHFFFAOYSA-N
XLogP3.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol?
The IUPAC name of (2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol (CID 79060021) is (2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol?
The canonical SMILES for (2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol is OC(c1ccccc1Cl)C1(N2CCOCC2)CCCC1.
What is the InChIKey of (2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol?
The InChIKey is XBMWVXSPWXWHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c17-14-6-2-1-5-13(14)15(19)16(7-3-4-8-16)18-9-11-20-12-10-18/h1-2,5-6,15,19H,3-4,7-12H2.
What are the key properties of (2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol?
(2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol has a molecular weight of 295.81 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol is sourced from PubChem (CID 79060021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).