2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol

C9H11ClO2 — CID 84770210

IUPAC2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol
SMILESCc1cc(CO)c(C)c(O)c1Cl
InChIInChI=1S/C9H11ClO2/c1-5-3-7(4-11)6(2)9(12)8(5)10/h3,11-12H,4H2,1-2H3
InChIKeyDEGWAQJDXLUYAD-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.15
Rot. Bonds1

About 2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol

2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol (PubChem CID 84770210) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol.

Molecular Properties

Compound Name2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol
PubChem CID84770210
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol
SMILESCc1cc(CO)c(C)c(O)c1Cl
InChIInChI=1S/C9H11ClO2/c1-5-3-7(4-11)6(2)9(12)8(5)10/h3,11-12H,4H2,1-2H3
InChIKeyDEGWAQJDXLUYAD-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-methoxy-3,5-dimethylphenyl)methanol
CID 84669757
5-(hydroxymethyl)-4-methylbenzene-1,2,3-triol
CID 123599997
3-(4-chloro-3-hydroxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 84801780
3,6-dichloro-4-methylbenzene-1,2-diol
CID 15618185
3,4-bis(hydroxymethyl)-6-methylbenzene-1,2-diol
CID 174735700
6-(hydroxymethyl)-3-methoxy-2,4-dimethylphenol
CID 84768719
4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol
CID 84770587
(3-bromo-5-chloro-2,4-dimethylphenyl)methanol
CID 84803776
(6-chloro-2,5-dimethyl-3-pyridinyl)methanol
CID 130047173
2,4-dichloro-1-ethyl-3,5-dimethylbenzene
CID 89248881
5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol
CID 87355604
5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol
CID 117335588

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol?
The IUPAC name of 2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol (CID 84770210) is 2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol.
What is the SMILES notation for 2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol?
The canonical SMILES for 2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol is Cc1cc(CO)c(C)c(O)c1Cl.
What is the InChIKey of 2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol?
The InChIKey is DEGWAQJDXLUYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-5-3-7(4-11)6(2)9(12)8(5)10/h3,11-12H,4H2,1-2H3.
What are the key properties of 2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol?
2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol has a molecular weight of 186.64 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol is sourced from PubChem (CID 84770210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).