2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol

C17H19ClO3 — CID 105124244

IUPAC2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
SMILESCOc1cc(C)c(C(O)COc2cccc(Cl)c2)cc1C
InChIInChI=1S/C17H19ClO3/c1-11-8-17(20-3)12(2)7-15(11)16(19)10-21-14-6-4-5-13(18)9-14/h4-9,16,19H,10H2,1-3H3
InChIKeyKKLWQJZIDDDWMM-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.08
Rot. Bonds5

About 2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol

2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol (PubChem CID 105124244) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
PubChem CID105124244
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
SMILESCOc1cc(C)c(C(O)COc2cccc(Cl)c2)cc1C
InChIInChI=1S/C17H19ClO3/c1-11-8-17(20-3)12(2)7-15(11)16(19)10-21-14-6-4-5-13(18)9-14/h4-9,16,19H,10H2,1-3H3
InChIKeyKKLWQJZIDDDWMM-UHFFFAOYSA-N
XLogP4.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol
CID 62790142
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
CID 105079210
2-(3-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121642
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
[1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethyl]hydrazine
CID 105300805
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106884046
1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol
CID 105081897
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105140888
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol
CID 105132612

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
The IUPAC name of 2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol (CID 105124244) is 2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol is COc1cc(C)c(C(O)COc2cccc(Cl)c2)cc1C.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
The InChIKey is KKLWQJZIDDDWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-11-8-17(20-3)12(2)7-15(11)16(19)10-21-14-6-4-5-13(18)9-14/h4-9,16,19H,10H2,1-3H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol has a molecular weight of 306.79 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 105124244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).