2-(1-chloroethoxy)phenol

C8H9ClO2 — CID 174313059

IUPAC2-(1-chloroethoxy)phenol
SMILESCC(Cl)Oc1ccccc1O
InChIInChI=1S/C8H9ClO2/c1-6(9)11-8-5-3-2-4-7(8)10/h2-6,10H,1H3
InChIKeyLMFOIYOFHIAZSV-UHFFFAOYSA-N
MW172.61 g/mol
LogP2.36
Rot. Bonds2

About 2-(1-chloroethoxy)phenol

2-(1-chloroethoxy)phenol (PubChem CID 174313059) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 2-(1-chloroethoxy)phenol.

Molecular Properties

Compound Name2-(1-chloroethoxy)phenol
PubChem CID174313059
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name2-(1-chloroethoxy)phenol
SMILESCC(Cl)Oc1ccccc1O
InChIInChI=1S/C8H9ClO2/c1-6(9)11-8-5-3-2-4-7(8)10/h2-6,10H,1H3
InChIKeyLMFOIYOFHIAZSV-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(6-hydroxyhexan-2-yloxy)phenol
CID 175541429
azane;2-methoxyphenol
CID 172717837
dichlorotitanium;bis(2-methoxyphenol)
CID 164736686
N-ethyl-2-(2-hydroxyphenoxy)propanamide
CID 43143422
1-(2-hydroxyphenoxy)ethyl prop-2-enoate
CID 18934210
2-(2-hydroxyphenoxy)phenol;phosphane
CID 174791785
methanethiol;2-methoxyphenol
CID 141484211
2-methylperoxyphenol
CID 18702042
2-methoxyphenol;molecular bromine
CID 141484212
2-(2-propan-2-yloxyethoxy)phenol
CID 61484898
benzene-1,2-diol;propan-2-ol
CID 144664669
2-(1-phenylpentoxy)phenol
CID 67179241

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethoxy)phenol?
The IUPAC name of 2-(1-chloroethoxy)phenol (CID 174313059) is 2-(1-chloroethoxy)phenol.
What is the SMILES notation for 2-(1-chloroethoxy)phenol?
The canonical SMILES for 2-(1-chloroethoxy)phenol is CC(Cl)Oc1ccccc1O.
What is the InChIKey of 2-(1-chloroethoxy)phenol?
The InChIKey is LMFOIYOFHIAZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c1-6(9)11-8-5-3-2-4-7(8)10/h2-6,10H,1H3.
What are the key properties of 2-(1-chloroethoxy)phenol?
2-(1-chloroethoxy)phenol has a molecular weight of 172.61 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethoxy)phenol is sourced from PubChem (CID 174313059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).