1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol

C12H17NO3 — CID 63282227

IUPAC1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol
SMILESCOc1ccc(OC)c(CN2CC(O)C2)c1
InChIInChI=1S/C12H17NO3/c1-15-11-3-4-12(16-2)9(5-11)6-13-7-10(14)8-13/h3-5,10,14H,6-8H2,1-2H3
InChIKeyMWWLQNWWDFVONB-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.88
Rot. Bonds4

About 1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol

1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol (PubChem CID 63282227) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol
PubChem CID63282227
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol
SMILESCOc1ccc(OC)c(CN2CC(O)C2)c1
InChIInChI=1S/C12H17NO3/c1-15-11-3-4-12(16-2)9(5-11)6-13-7-10(14)8-13/h3-5,10,14H,6-8H2,1-2H3
InChIKeyMWWLQNWWDFVONB-UHFFFAOYSA-N
XLogP0.88
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
[4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779927
(3aS,6aR)-2-[(2-fluoro-5-methoxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138807884
1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975675
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2187036
2-[4-[(2,5-dimethoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 45185218
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 764461
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol
CID 111489429
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol (CID 63282227) is 1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol is COc1ccc(OC)c(CN2CC(O)C2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol?
The InChIKey is MWWLQNWWDFVONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-11-3-4-12(16-2)9(5-11)6-13-7-10(14)8-13/h3-5,10,14H,6-8H2,1-2H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol?
1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol has a molecular weight of 223.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol is sourced from PubChem (CID 63282227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).