(1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol

C15H16ClNO3 — CID 82001578

IUPAC(1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCc2ccncc2Cl)c1
InChIInChI=1S/C15H16ClNO3/c1-10(18)13-4-3-12(19-2)7-15(13)20-9-11-5-6-17-8-14(11)16/h3-8,10,18H,9H2,1-2H3/t10-/m1/s1
InChIKeyXTMAYECZOZRHIV-SNVBAGLBSA-N
MW293.75 g/mol
LogP3.38
Rot. Bonds5

About (1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol

(1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol (PubChem CID 82001578) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is (1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol
PubChem CID82001578
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name(1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCc2ccncc2Cl)c1
InChIInChI=1S/C15H16ClNO3/c1-10(18)13-4-3-12(19-2)7-15(13)20-9-11-5-6-17-8-14(11)16/h3-8,10,18H,9H2,1-2H3/t10-/m1/s1
InChIKeyXTMAYECZOZRHIV-SNVBAGLBSA-N
XLogP3.38
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002286
1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol
CID 107719563
(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002835
(1S)-1-[2-[(2,5-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002549
(1S)-1-[4-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 82001017
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002762
(3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol
CID 105095989
1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 82001778
(1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol
CID 82000952
(1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 82001492
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine
CID 113302926
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol (CID 82001578) is (1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol is COc1ccc([C@@H](C)O)c(OCc2ccncc2Cl)c1.
What is the InChIKey of (1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol?
The InChIKey is XTMAYECZOZRHIV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-10(18)13-4-3-12(19-2)7-15(13)20-9-11-5-6-17-8-14(11)16/h3-8,10,18H,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol?
(1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol has a molecular weight of 293.75 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol is sourced from PubChem (CID 82001578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).