2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol

C14H12Cl2O2 — CID 70581591

IUPAC2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol
SMILESOc1ccccc1C(c1ccccc1O)C(Cl)Cl
InChIInChI=1S/C14H12Cl2O2/c15-14(16)13(9-5-1-3-7-11(9)17)10-6-2-4-8-12(10)18/h1-8,13-14,17-18H
InChIKeyNHUSVPRSBDXADF-UHFFFAOYSA-N
MW283.15 g/mol
LogP4.03
Rot. Bonds3

About 2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol

2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol (PubChem CID 70581591) has the molecular formula C14H12Cl2O2 and a molecular weight of 283.15 g/mol. Its IUPAC name is 2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol
PubChem CID70581591
Molecular FormulaC14H12Cl2O2
Molecular Weight283.15 g/mol
Exact Mass282.02
IUPAC Name2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol
SMILESOc1ccccc1C(c1ccccc1O)C(Cl)Cl
InChIInChI=1S/C14H12Cl2O2/c15-14(16)13(9-5-1-3-7-11(9)17)10-6-2-4-8-12(10)18/h1-8,13-14,17-18H
InChIKeyNHUSVPRSBDXADF-UHFFFAOYSA-N
XLogP4.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 54.03
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-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol
CID 67705842
2-(difluoromethyl)phenol
CID 21386914
2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol
CID 21256259
[(1R,2S)-2-azaniumyl-1,2-bis(2-hydroxyphenyl)ethyl]azanium dichloride
CID 139065315
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
lithium;hydride;2-propan-2-ylphenol
CID 175276368
3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
CID 18764787
2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol
CID 154087711
2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile
CID 171869667
2-chlorophenol;2-propan-2-ylphenol
CID 67592486
2-[1,4-diamino-3-(2-hydroxyphenyl)butan-2-yl]phenol
CID 170875368
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]phenol
CID 131473410

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol (CID 70581591) is 2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol is Oc1ccccc1C(c1ccccc1O)C(Cl)Cl.
What is the InChIKey of 2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol?
The InChIKey is NHUSVPRSBDXADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2/c15-14(16)13(9-5-1-3-7-11(9)17)10-6-2-4-8-12(10)18/h1-8,13-14,17-18H.
What are the key properties of 2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol?
2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol has a molecular weight of 283.15 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 70581591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).