[4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol

C12H16ClNO3 — CID 117009222

IUPAC[4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol
SMILESCOc1ccc(Cl)cc1N1CCOCC1CO
InChIInChI=1S/C12H16ClNO3/c1-16-12-3-2-9(13)6-11(12)14-4-5-17-8-10(14)7-15/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyMITZPGNPOUJDPC-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.55
Rot. Bonds3

About [4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol

[4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol (PubChem CID 117009222) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is [4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol
PubChem CID117009222
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name[4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol
SMILESCOc1ccc(Cl)cc1N1CCOCC1CO
InChIInChI=1S/C12H16ClNO3/c1-16-12-3-2-9(13)6-11(12)14-4-5-17-8-10(14)7-15/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyMITZPGNPOUJDPC-UHFFFAOYSA-N
XLogP1.55
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol?
The IUPAC name of [4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol (CID 117009222) is [4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol.
What is the SMILES notation for [4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol?
The canonical SMILES for [4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol is COc1ccc(Cl)cc1N1CCOCC1CO.
What is the InChIKey of [4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol?
The InChIKey is MITZPGNPOUJDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-16-12-3-2-9(13)6-11(12)14-4-5-17-8-10(14)7-15/h2-3,6,10,15H,4-5,7-8H2,1H3.
What are the key properties of [4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol?
[4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol has a molecular weight of 257.72 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol is sourced from PubChem (CID 117009222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).