5-chloro-2-(1-hydroxy-2-methylpropyl)phenol

C10H13ClO2 — CID 13333883

IUPAC5-chloro-2-(1-hydroxy-2-methylpropyl)phenol
SMILESCC(C)C(O)c1ccc(Cl)cc1O
InChIInChI=1S/C10H13ClO2/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,10,12-13H,1-2H3
InChIKeyRZRLJNSCINQDTI-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.73
Rot. Bonds2

About 5-chloro-2-(1-hydroxy-2-methylpropyl)phenol

5-chloro-2-(1-hydroxy-2-methylpropyl)phenol (PubChem CID 13333883) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 5-chloro-2-(1-hydroxy-2-methylpropyl)phenol.

Molecular Properties

Compound Name5-chloro-2-(1-hydroxy-2-methylpropyl)phenol
PubChem CID13333883
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name5-chloro-2-(1-hydroxy-2-methylpropyl)phenol
SMILESCC(C)C(O)c1ccc(Cl)cc1O
InChIInChI=1S/C10H13ClO2/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,10,12-13H,1-2H3
InChIKeyRZRLJNSCINQDTI-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one
CID 130780288
2-(1-aminobutyl)-5-chlorophenol
CID 55271599
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
5-chloro-2-(1,2-diaminoethyl)phenol
CID 55273354
(2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid
CID 66510595
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
1-(4-chloro-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 103457370
3-amino-4-(1-hydroxy-2-methylpropyl)phenol
CID 105439440
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
(1S,2R)-1-(2,4-dichlorophenyl)-2-methylbut-3-en-1-ol
CID 15421862
4-chloro-2-[(1S)-1-(methylamino)ethyl]phenol
CID 94343743
(1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol
CID 130741211

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-hydroxy-2-methylpropyl)phenol?
The IUPAC name of 5-chloro-2-(1-hydroxy-2-methylpropyl)phenol (CID 13333883) is 5-chloro-2-(1-hydroxy-2-methylpropyl)phenol.
What is the SMILES notation for 5-chloro-2-(1-hydroxy-2-methylpropyl)phenol?
The canonical SMILES for 5-chloro-2-(1-hydroxy-2-methylpropyl)phenol is CC(C)C(O)c1ccc(Cl)cc1O.
What is the InChIKey of 5-chloro-2-(1-hydroxy-2-methylpropyl)phenol?
The InChIKey is RZRLJNSCINQDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,10,12-13H,1-2H3.
What are the key properties of 5-chloro-2-(1-hydroxy-2-methylpropyl)phenol?
5-chloro-2-(1-hydroxy-2-methylpropyl)phenol has a molecular weight of 200.66 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-hydroxy-2-methylpropyl)phenol is sourced from PubChem (CID 13333883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).