1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol

C15H15ClO3 — CID 62790142

IUPAC1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol
SMILESCOc1ccc(Cl)cc1C(O)COc1ccccc1
InChIInChI=1S/C15H15ClO3/c1-18-15-8-7-11(16)9-13(15)14(17)10-19-12-5-3-2-4-6-12/h2-9,14,17H,10H2,1H3
InChIKeyLQUJHDAHTPANPI-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.46
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol

1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol (PubChem CID 62790142) has the molecular formula C15H15ClO3 and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol
PubChem CID62790142
Molecular FormulaC15H15ClO3
Molecular Weight278.74 g/mol
Exact Mass278.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol
SMILESCOc1ccc(Cl)cc1C(O)COc1ccccc1
InChIInChI=1S/C15H15ClO3/c1-18-15-8-7-11(16)9-13(15)14(17)10-19-12-5-3-2-4-6-12/h2-9,14,17H,10H2,1H3
InChIKeyLQUJHDAHTPANPI-UHFFFAOYSA-N
XLogP3.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105140888
[1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethyl]hydrazine
CID 105300805
1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol
CID 65141873
2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 105124244
2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol
CID 105095796
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
2-(4-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 113338071
(1S)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-ol
CID 97293631
(1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 78933528
1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 62937479
(1R)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63364444
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 82802069

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol (CID 62790142) is 1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol is COc1ccc(Cl)cc1C(O)COc1ccccc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol?
The InChIKey is LQUJHDAHTPANPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3/c1-18-15-8-7-11(16)9-13(15)14(17)10-19-12-5-3-2-4-6-12/h2-9,14,17H,10H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol?
1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol has a molecular weight of 278.74 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol is sourced from PubChem (CID 62790142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).