2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol

C14H13ClO2 — CID 21256259

IUPAC2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol
SMILESOc1ccccc1C(CCl)c1ccccc1O
InChIInChI=1S/C14H13ClO2/c15-9-12(10-5-1-3-7-13(10)16)11-6-2-4-8-14(11)17/h1-8,12,16-17H,9H2
InChIKeyGMHUGPTXJOUHMB-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.47
Rot. Bonds3

About 2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol

2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol (PubChem CID 21256259) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol
PubChem CID21256259
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol
SMILESOc1ccccc1C(CCl)c1ccccc1O
InChIInChI=1S/C14H13ClO2/c15-9-12(10-5-1-3-7-13(10)16)11-6-2-4-8-14(11)17/h1-8,12,16-17H,9H2
InChIKeyGMHUGPTXJOUHMB-UHFFFAOYSA-N
XLogP3.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-hydroxyphenyl)-1,3-diphenylpropyl]phenol
CID 151789465
2-[1,13,13-tris(2-hydroxyphenyl)tridecyl]phenol
CID 19886957
2-[(1S)-1-hydroxy-2-phenylethyl]phenol
CID 86312713
2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol
CID 70581591
2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol
CID 168868522
2-(difluoromethyl)phenol
CID 21386914
2-[1,4-diamino-3-(2-hydroxyphenyl)butan-2-yl]phenol
CID 170875368
2-(1-phenylpentyl)phenol
CID 19601156
benzene-1,2-diol;hydrogen peroxide
CID 22924348
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281
2-(1-amino-2-fluoroethyl)phenol
CID 83815442
2-(1-fluoropropan-2-yl)phenol
CID 19048051

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol (CID 21256259) is 2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol is Oc1ccccc1C(CCl)c1ccccc1O.
What is the InChIKey of 2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol?
The InChIKey is GMHUGPTXJOUHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c15-9-12(10-5-1-3-7-13(10)16)11-6-2-4-8-14(11)17/h1-8,12,16-17H,9H2.
What are the key properties of 2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol?
2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol has a molecular weight of 248.71 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 21256259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).