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

C15H15ClO2 — CID 55133247

IUPAC1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
SMILESCc1cccc(Oc2ccc(C(C)O)cc2Cl)c1
InChIInChI=1S/C15H15ClO2/c1-10-4-3-5-13(8-10)18-15-7-6-12(11(2)17)9-14(15)16/h3-9,11,17H,1-2H3
InChIKeyKTXDTDXAYQDDGA-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.49
Rot. Bonds3

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

1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol (PubChem CID 55133247) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
PubChem CID55133247
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
SMILESCc1cccc(Oc2ccc(C(C)O)cc2Cl)c1
InChIInChI=1S/C15H15ClO2/c1-10-4-3-5-13(8-10)18-15-7-6-12(11(2)17)9-14(15)16/h3-9,11,17H,1-2H3
InChIKeyKTXDTDXAYQDDGA-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 78941603
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
1-[3-chloro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
CID 62912068
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
1-[3-chloro-4-(3-ethoxyphenoxy)phenyl]ethanol
CID 62911183
(1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 55182879
(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-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78952850
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol
CID 62912366
(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
CID 78941541
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol (CID 55133247) is 1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol is Cc1cccc(Oc2ccc(C(C)O)cc2Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol?
The InChIKey is KTXDTDXAYQDDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-10-4-3-5-13(8-10)18-15-7-6-12(11(2)17)9-14(15)16/h3-9,11,17H,1-2H3.
What are the key properties of 1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol?
1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol has a molecular weight of 262.74 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol is sourced from PubChem (CID 55133247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).