2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol

C12H17ClO2 — CID 84692297

IUPAC2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol
SMILESCC(O)c1cc(Cl)cc(C(C)(C)C)c1O
InChIInChI=1S/C12H17ClO2/c1-7(14)9-5-8(13)6-10(11(9)15)12(2,3)4/h5-7,14-15H,1-4H3
InChIKeyZWZLRMRLAGFZOY-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.40
Rot. Bonds1

About 2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol

2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol (PubChem CID 84692297) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol
PubChem CID84692297
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol
SMILESCC(O)c1cc(Cl)cc(C(C)(C)C)c1O
InChIInChI=1S/C12H17ClO2/c1-7(14)9-5-8(13)6-10(11(9)15)12(2,3)4/h5-7,14-15H,1-4H3
InChIKeyZWZLRMRLAGFZOY-UHFFFAOYSA-N
XLogP3.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2,6-bis(1-hydroxyethyl)phenol
CID 21162833
2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol
CID 117356716
1-tert-butyl-3-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]thiourea
CID 87656027
2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol
CID 117386945
2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol
CID 84708628
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-ditert-butylphenol
CID 171261580
4-(2-amino-1-hydroxypropyl)-2,6-ditert-butylphenol
CID 43209074
bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine
CID 174939437
1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 87655608
2-tert-butyl-5-chloro-1,3-di(propan-2-yl)benzene
CID 135252077
1-(3-chloronaphthalen-1-yl)ethanol
CID 121007557
2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol
CID 101304331

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol?
The IUPAC name of 2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol (CID 84692297) is 2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol is CC(O)c1cc(Cl)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol?
The InChIKey is ZWZLRMRLAGFZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-7(14)9-5-8(13)6-10(11(9)15)12(2,3)4/h5-7,14-15H,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol?
2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol has a molecular weight of 228.72 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol is sourced from PubChem (CID 84692297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).