[4-(4-methoxyphenyl)morpholin-3-yl]methanol

C12H17NO3 — CID 117009227

IUPAC[4-(4-methoxyphenyl)morpholin-3-yl]methanol
SMILESCOc1ccc(N2CCOCC2CO)cc1
InChIInChI=1S/C12H17NO3/c1-15-12-4-2-10(3-5-12)13-6-7-16-9-11(13)8-14/h2-5,11,14H,6-9H2,1H3
InChIKeyBLCSZAJYVRKOTL-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.89
Rot. Bonds3

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

[4-(4-methoxyphenyl)morpholin-3-yl]methanol (PubChem CID 117009227) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)morpholin-3-yl]methanol
PubChem CID117009227
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[4-(4-methoxyphenyl)morpholin-3-yl]methanol
SMILESCOc1ccc(N2CCOCC2CO)cc1
InChIInChI=1S/C12H17NO3/c1-15-12-4-2-10(3-5-12)13-6-7-16-9-11(13)8-14/h2-5,11,14H,6-9H2,1H3
InChIKeyBLCSZAJYVRKOTL-UHFFFAOYSA-N
XLogP0.89
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [4-(4-methoxyphenyl)morpholin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)morpholin-3-yl]methanol?
The IUPAC name of [4-(4-methoxyphenyl)morpholin-3-yl]methanol (CID 117009227) is [4-(4-methoxyphenyl)morpholin-3-yl]methanol.
What is the SMILES notation for [4-(4-methoxyphenyl)morpholin-3-yl]methanol?
The canonical SMILES for [4-(4-methoxyphenyl)morpholin-3-yl]methanol is COc1ccc(N2CCOCC2CO)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)morpholin-3-yl]methanol?
The InChIKey is BLCSZAJYVRKOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-12-4-2-10(3-5-12)13-6-7-16-9-11(13)8-14/h2-5,11,14H,6-9H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)morpholin-3-yl]methanol?
[4-(4-methoxyphenyl)morpholin-3-yl]methanol has a molecular weight of 223.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)morpholin-3-yl]methanol is sourced from PubChem (CID 117009227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).