(1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol

C16H17ClO3 — CID 78941429

IUPAC(1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol
SMILESCOc1cc(C)ccc1Oc1ccc([C@H](C)O)cc1Cl
InChIInChI=1S/C16H17ClO3/c1-10-4-6-15(16(8-10)19-3)20-14-7-5-12(11(2)18)9-13(14)17/h4-9,11,18H,1-3H3/t11-/m0/s1
InChIKeyJNUSLQXIASDYNI-NSHDSACASA-N
MW292.76 g/mol
LogP4.50
Rot. Bonds4

About (1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol

(1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol (PubChem CID 78941429) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol
PubChem CID78941429
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Name(1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol
SMILESCOc1cc(C)ccc1Oc1ccc([C@H](C)O)cc1Cl
InChIInChI=1S/C16H17ClO3/c1-10-4-6-15(16(8-10)19-3)20-14-7-5-12(11(2)18)9-13(14)17/h4-9,11,18H,1-3H3/t11-/m0/s1
InChIKeyJNUSLQXIASDYNI-NSHDSACASA-N
XLogP4.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol
CID 78941905
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 55133247
(1S)-1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 78941603
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol
CID 62912366
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 63540954
1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol
CID 62910643
1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 62910687
1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 43506272

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol (CID 78941429) is (1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol is COc1cc(C)ccc1Oc1ccc([C@H](C)O)cc1Cl.
What is the InChIKey of (1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol?
The InChIKey is JNUSLQXIASDYNI-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClO3/c1-10-4-6-15(16(8-10)19-3)20-14-7-5-12(11(2)18)9-13(14)17/h4-9,11,18H,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol?
(1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol has a molecular weight of 292.76 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol is sourced from PubChem (CID 78941429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).