2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol

C17H19ClO3 — CID 105095527

IUPAC2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClO3/c1-12(2)21-15-8-6-13(7-9-15)17(19)11-20-16-5-3-4-14(18)10-16/h3-10,12,17,19H,11H2,1-2H3
InChIKeyJWDAQHJPOKMCCU-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.24
Rot. Bonds6

About 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol

2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 105095527) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID105095527
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClO3/c1-12(2)21-15-8-6-13(7-9-15)17(19)11-20-16-5-3-4-14(18)10-16/h3-10,12,17,19H,11H2,1-2H3
InChIKeyJWDAQHJPOKMCCU-UHFFFAOYSA-N
XLogP4.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 105144621
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
CID 105079210
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol
CID 105088994
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
CID 105121340
2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 111422677
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol (CID 105095527) is 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc(C(O)COc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is JWDAQHJPOKMCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-12(2)21-15-8-6-13(7-9-15)17(19)11-20-16-5-3-4-14(18)10-16/h3-10,12,17,19H,11H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol?
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 306.79 g/mol, XLogP of 4.24, 6 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-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 105095527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).