(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol

C16H17ClO2 — CID 55183054

IUPAC(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
SMILESCc1cc(C)cc(Oc2ccc([C@H](C)O)cc2Cl)c1
InChIInChI=1S/C16H17ClO2/c1-10-6-11(2)8-14(7-10)19-16-5-4-13(12(3)18)9-15(16)17/h4-9,12,18H,1-3H3/t12-/m0/s1
InChIKeyDJHXHNMOEWHVSU-LBPRGKRZSA-N
MW276.76 g/mol
LogP4.80
Rot. Bonds3

About (1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol

(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol (PubChem CID 55183054) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
PubChem CID55183054
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
SMILESCc1cc(C)cc(Oc2ccc([C@H](C)O)cc2Cl)c1
InChIInChI=1S/C16H17ClO2/c1-10-6-11(2)8-14(7-10)19-16-5-4-13(12(3)18)9-15(16)17/h4-9,12,18H,1-3H3/t12-/m0/s1
InChIKeyDJHXHNMOEWHVSU-LBPRGKRZSA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 55133247
(1S)-1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 78941603
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
CID 78941541
(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
(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78952850
(1R)-1-[4-(3,5-dimethylphenoxy)-3-nitrophenyl]ethanol
CID 63372315
4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide
CID 62911692
(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol
CID 78941905
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol
CID 62912366

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol (CID 55183054) is (1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol is Cc1cc(C)cc(Oc2ccc([C@H](C)O)cc2Cl)c1.
What is the InChIKey of (1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol?
The InChIKey is DJHXHNMOEWHVSU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-10-6-11(2)8-14(7-10)19-16-5-4-13(12(3)18)9-15(16)17/h4-9,12,18H,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol?
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol has a molecular weight of 276.76 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol is sourced from PubChem (CID 55183054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).