3,5-dichloro-2-(1-hydroxyethyl)phenol

C8H8Cl2O2 — CID 130032494

IUPAC3,5-dichloro-2-(1-hydroxyethyl)phenol
SMILESCC(O)c1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2O2/c1-4(11)8-6(10)2-5(9)3-7(8)12/h2-4,11-12H,1H3
InChIKeyYAQXHSKAKXOEKH-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.75
Rot. Bonds1

About 3,5-dichloro-2-(1-hydroxyethyl)phenol

3,5-dichloro-2-(1-hydroxyethyl)phenol (PubChem CID 130032494) has the molecular formula C8H8Cl2O2 and a molecular weight of 207.06 g/mol. Its IUPAC name is 3,5-dichloro-2-(1-hydroxyethyl)phenol.

Molecular Properties

Compound Name3,5-dichloro-2-(1-hydroxyethyl)phenol
PubChem CID130032494
Molecular FormulaC8H8Cl2O2
Molecular Weight207.06 g/mol
Exact Mass205.99
IUPAC Name3,5-dichloro-2-(1-hydroxyethyl)phenol
SMILESCC(O)c1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2O2/c1-4(11)8-6(10)2-5(9)3-7(8)12/h2-4,11-12H,1H3
InChIKeyYAQXHSKAKXOEKH-UHFFFAOYSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol
CID 131173726
1-(2,5,7-trichloro-1H-indol-3-yl)ethanol
CID 82269510
4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol
CID 82265408
3,5-dichloro-2-propan-2-yloxyphenol
CID 82267072
(2S)-2-amino-2-(2,4-dichloro-6-hydroxyphenyl)acetic acid
CID 66512891
4-chloro-2,6-bis(1-hydroxyethyl)phenol
CID 21162833
methyl (2S)-2-amino-2-(2,4-dichloro-6-hydroxyphenyl)acetate;hydrochloride
CID 171211605
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol
CID 131582381
2-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dichlorophenol;hydrochloride
CID 171265912
2-[1-(2,4,6-trichloroanilino)ethyl]benzene-1,3-diol
CID 107710532
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
1-(2-chloro-4,6-difluorophenyl)ethanol
CID 178189080

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(1-hydroxyethyl)phenol?
The IUPAC name of 3,5-dichloro-2-(1-hydroxyethyl)phenol (CID 130032494) is 3,5-dichloro-2-(1-hydroxyethyl)phenol.
What is the SMILES notation for 3,5-dichloro-2-(1-hydroxyethyl)phenol?
The canonical SMILES for 3,5-dichloro-2-(1-hydroxyethyl)phenol is CC(O)c1c(O)cc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-(1-hydroxyethyl)phenol?
The InChIKey is YAQXHSKAKXOEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2/c1-4(11)8-6(10)2-5(9)3-7(8)12/h2-4,11-12H,1H3.
What are the key properties of 3,5-dichloro-2-(1-hydroxyethyl)phenol?
3,5-dichloro-2-(1-hydroxyethyl)phenol has a molecular weight of 207.06 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(1-hydroxyethyl)phenol is sourced from PubChem (CID 130032494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).