4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol

C14H13ClO3 — CID 117244629

IUPAC4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
SMILESOc1ccc(C(O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClO3/c15-11-2-1-3-13(8-11)18-9-14(17)10-4-6-12(16)7-5-10/h1-8,14,16-17H,9H2
InChIKeyPWXDAQNBMXPPTC-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.16
Rot. Bonds4

About 4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol

4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol (PubChem CID 117244629) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
PubChem CID117244629
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Name4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
SMILESOc1ccc(C(O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClO3/c15-11-2-1-3-13(8-11)18-9-14(17)10-4-6-12(16)7-5-10/h1-8,14,16-17H,9H2
InChIKeyPWXDAQNBMXPPTC-UHFFFAOYSA-N
XLogP3.16
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 105095527
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
CID 105079210
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate
CID 117245260
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
2-(3-chlorophenoxy)-1-thiophen-2-ylethanol
CID 115766337
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
CID 105121340
3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
CID 117242718
1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol
CID 109416427
1-(3-chlorophenoxy)-3-(4-propan-2-ylphenyl)propan-2-ol
CID 105088994
2-(3-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121642

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol?
The IUPAC name of 4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol (CID 117244629) is 4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol is Oc1ccc(C(O)COc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol?
The InChIKey is PWXDAQNBMXPPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3/c15-11-2-1-3-13(8-11)18-9-14(17)10-4-6-12(16)7-5-10/h1-8,14,16-17H,9H2.
What are the key properties of 4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol?
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol has a molecular weight of 264.71 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol is sourced from PubChem (CID 117244629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).