1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol

C15H16ClNO2 — CID 102881647

IUPAC1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
SMILESCc1cncc(COc2ccc(C(C)O)cc2Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-10-5-12(8-17-7-10)9-19-15-4-3-13(11(2)18)6-14(15)16/h3-8,11,18H,9H2,1-2H3
InChIKeyWABNZQBBGPNXLJ-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.68
Rot. Bonds4

About 1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol

1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol (PubChem CID 102881647) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
PubChem CID102881647
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
SMILESCc1cncc(COc2ccc(C(C)O)cc2Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-10-5-12(8-17-7-10)9-19-15-4-3-13(11(2)18)6-14(15)16/h3-8,11,18H,9H2,1-2H3
InChIKeyWABNZQBBGPNXLJ-UHFFFAOYSA-N
XLogP3.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881584
(1R)-1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881645
(1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol
CID 113389943
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293
(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880442
N-[[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 102880396
(1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol
CID 104798690
3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine
CID 102881286
(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389810
1-(4-butoxy-3-chlorophenyl)ethanol
CID 91632940
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol (CID 102881647) is 1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol is Cc1cncc(COc2ccc(C(C)O)cc2Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol?
The InChIKey is WABNZQBBGPNXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-5-12(8-17-7-10)9-19-15-4-3-13(11(2)18)6-14(15)16/h3-8,11,18H,9H2,1-2H3.
What are the key properties of 1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol?
1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol has a molecular weight of 277.75 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102881647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).