[4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol

C14H20ClNO2 — CID 86817957

IUPAC[4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol
SMILESCC(CN1CCOC(CO)C1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-11(12-3-2-4-13(15)7-12)8-16-5-6-18-14(9-16)10-17/h2-4,7,11,14,17H,5-6,8-10H2,1H3
InChIKeyPONOJCRALMYQDE-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.14
Rot. Bonds4

About [4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol

[4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol (PubChem CID 86817957) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol
PubChem CID86817957
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol
SMILESCC(CN1CCOC(CO)C1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-11(12-3-2-4-13(15)7-12)8-16-5-6-18-14(9-16)10-17/h2-4,7,11,14,17H,5-6,8-10H2,1H3
InChIKeyPONOJCRALMYQDE-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol (CID 86817957) is [4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol is CC(CN1CCOC(CO)C1)c1cccc(Cl)c1.
What is the InChIKey of [4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol?
The InChIKey is PONOJCRALMYQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11(12-3-2-4-13(15)7-12)8-16-5-6-18-14(9-16)10-17/h2-4,7,11,14,17H,5-6,8-10H2,1H3.
What are the key properties of [4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol?
[4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol has a molecular weight of 269.77 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol is sourced from PubChem (CID 86817957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).