1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol

C13H18ClNO3 — CID 117432342

IUPAC1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol
SMILESCOc1cc(Cl)cc(C(C)O)c1OC1CN(C)C1
InChIInChI=1S/C13H18ClNO3/c1-8(16)11-4-9(14)5-12(17-3)13(11)18-10-6-15(2)7-10/h4-5,8,10,16H,6-7H2,1-3H3
InChIKeyXWRSECPAKVEDBZ-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.09
Rot. Bonds4

About 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol

1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol (PubChem CID 117432342) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol
PubChem CID117432342
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol
SMILESCOc1cc(Cl)cc(C(C)O)c1OC1CN(C)C1
InChIInChI=1S/C13H18ClNO3/c1-8(16)11-4-9(14)5-12(17-3)13(11)18-10-6-15(2)7-10/h4-5,8,10,16H,6-7H2,1-3H3
InChIKeyXWRSECPAKVEDBZ-UHFFFAOYSA-N
XLogP2.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]butanal
CID 117479478
2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine
CID 117430106
1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine
CID 117478270
4-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid
CID 117498916
2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine
CID 117478268
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol
CID 84705859
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol
CID 117429947
2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol
CID 116863294
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol?
The IUPAC name of 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol (CID 117432342) is 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol?
The canonical SMILES for 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol is COc1cc(Cl)cc(C(C)O)c1OC1CN(C)C1.
What is the InChIKey of 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol?
The InChIKey is XWRSECPAKVEDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-8(16)11-4-9(14)5-12(17-3)13(11)18-10-6-15(2)7-10/h4-5,8,10,16H,6-7H2,1-3H3.
What are the key properties of 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol?
1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol has a molecular weight of 271.74 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol is sourced from PubChem (CID 117432342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).