(1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol

C15H16ClNO2 — CID 55188616

IUPAC(1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCCc1ccncc1
InChIInChI=1S/C15H16ClNO2/c1-11(18)14-10-13(16)2-3-15(14)19-9-6-12-4-7-17-8-5-12/h2-5,7-8,10-11,18H,6,9H2,1H3/t11-/m0/s1
InChIKeyJDYWMMGQMAGRGA-NSHDSACASA-N
MW277.75 g/mol
LogP3.41
Rot. Bonds5

About (1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol

(1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol (PubChem CID 55188616) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol
PubChem CID55188616
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name(1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCCc1ccncc1
InChIInChI=1S/C15H16ClNO2/c1-11(18)14-10-13(16)2-3-15(14)19-9-6-12-4-7-17-8-5-12/h2-5,7-8,10-11,18H,6,9H2,1H3/t11-/m0/s1
InChIKeyJDYWMMGQMAGRGA-NSHDSACASA-N
XLogP3.41
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol
CID 78931026
1-[5-chloro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446198
(1S)-1-[5-chloro-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113981
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
1-[4-methyl-2-(2-pyridin-4-ylethoxy)phenyl]ethanol
CID 63650901
(1S)-1-[5-chloro-2-(4-methoxybutoxy)phenyl]ethanol
CID 104648019
(1S)-1-[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63364452
(1S)-1-[5-chloro-2-(3-methoxypropoxy)phenyl]ethanol
CID 78931460
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
(1S)-1-[5-chloro-2-(3,3-dimethylbutoxy)phenyl]ethanol
CID 78931515

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol (CID 55188616) is (1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol is C[C@H](O)c1cc(Cl)ccc1OCCc1ccncc1.
What is the InChIKey of (1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol?
The InChIKey is JDYWMMGQMAGRGA-NSHDSACASA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-11(18)14-10-13(16)2-3-15(14)19-9-6-12-4-7-17-8-5-12/h2-5,7-8,10-11,18H,6,9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol?
(1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol has a molecular weight of 277.75 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol is sourced from PubChem (CID 55188616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).