[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol

C14H18ClNO2 — CID 114067473

IUPAC[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol
SMILESOCc1cccc(Cl)c1N1CCOC2CCCC21
InChIInChI=1S/C14H18ClNO2/c15-11-4-1-3-10(9-17)14(11)16-7-8-18-13-6-2-5-12(13)16/h1,3-4,12-13,17H,2,5-9H2
InChIKeyZDXFSCNHZAUTEL-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.59
Rot. Bonds2

About [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol

[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol (PubChem CID 114067473) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol
PubChem CID114067473
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol
SMILESOCc1cccc(Cl)c1N1CCOC2CCCC21
InChIInChI=1S/C14H18ClNO2/c15-11-4-1-3-10(9-17)14(11)16-7-8-18-13-6-2-5-12(13)16/h1,3-4,12-13,17H,2,5-9H2
InChIKeyZDXFSCNHZAUTEL-UHFFFAOYSA-N
XLogP2.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol?
The IUPAC name of [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol (CID 114067473) is [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol.
What is the SMILES notation for [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol?
The canonical SMILES for [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol is OCc1cccc(Cl)c1N1CCOC2CCCC21.
What is the InChIKey of [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol?
The InChIKey is ZDXFSCNHZAUTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-11-4-1-3-10(9-17)14(11)16-7-8-18-13-6-2-5-12(13)16/h1,3-4,12-13,17H,2,5-9H2.
What are the key properties of [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol?
[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol has a molecular weight of 267.76 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-chlorophenyl]methanol is sourced from PubChem (CID 114067473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).