(2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

C14H18FNO3 — CID 102883842

IUPAC(2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2ccc(OC)cc2F)C1
InChIInChI=1S/C14H18FNO3/c1-3-6-14(18)8-16(9-14)13(17)11-5-4-10(19-2)7-12(11)15/h4-5,7,18H,3,6,8-9H2,1-2H3
InChIKeyUGMBHXCMMXUXEW-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.82
Rot. Bonds4

About (2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

(2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (PubChem CID 102883842) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
PubChem CID102883842
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name(2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2ccc(OC)cc2F)C1
InChIInChI=1S/C14H18FNO3/c1-3-6-14(18)8-16(9-14)13(17)11-5-4-10(19-2)7-12(11)15/h4-5,7,18H,3,6,8-9H2,1-2H3
InChIKeyUGMBHXCMMXUXEW-UHFFFAOYSA-N
XLogP1.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(3-amino-3-propylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102885381
[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 142469619
(3-amino-3-ethylazetidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102885380
(4-bromo-2-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 115369585
(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210704
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404168
[(3S,4S)-3-(aminomethyl)-4-ethylpyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 142469644
(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 103397099
(2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95345550
(2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392243
[4-(2-bromoethyl)piperazin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102885135

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (CID 102883842) is (2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is CCCC1(O)CN(C(=O)c2ccc(OC)cc2F)C1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The InChIKey is UGMBHXCMMXUXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-3-6-14(18)8-16(9-14)13(17)11-5-4-10(19-2)7-12(11)15/h4-5,7,18H,3,6,8-9H2,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
(2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone has a molecular weight of 267.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 102883842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).