(1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol

C16H18ClNO2 — CID 103175145

IUPAC(1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
SMILESCCc1nc(C)ccc1Oc1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C16H18ClNO2/c1-4-14-16(7-5-10(2)18-14)20-15-8-6-12(11(3)19)9-13(15)17/h5-9,11,19H,4H2,1-3H3/t11-/m1/s1
InChIKeyXKDDAQOFYWRXLO-LLVKDONJSA-N
MW291.78 g/mol
LogP4.45
Rot. Bonds4

About (1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol

(1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol (PubChem CID 103175145) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
PubChem CID103175145
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name(1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
SMILESCCc1nc(C)ccc1Oc1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C16H18ClNO2/c1-4-14-16(7-5-10(2)18-14)20-15-8-6-12(11(3)19)9-13(15)17/h5-9,11,19H,4H2,1-3H3/t11-/m1/s1
InChIKeyXKDDAQOFYWRXLO-LLVKDONJSA-N
XLogP4.45
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 103175174
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
(1R)-1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]ethanol
CID 78941592
(1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 78941429
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
(1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol
CID 103175163
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol
CID 62912366
(1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine
CID 103174897
(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 63540954
1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol
CID 62910643
4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
CID 106766872

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol (CID 103175145) is (1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol is CCc1nc(C)ccc1Oc1ccc([C@@H](C)O)cc1Cl.
What is the InChIKey of (1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol?
The InChIKey is XKDDAQOFYWRXLO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-4-14-16(7-5-10(2)18-14)20-15-8-6-12(11(3)19)9-13(15)17/h5-9,11,19H,4H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol?
(1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol has a molecular weight of 291.78 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol is sourced from PubChem (CID 103175145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).