[2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol

C10H12Cl2O2 — CID 11042693

IUPAC[2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol
SMILESCc1c(Cl)c(C)c(CO)c(Cl)c1CO
InChIInChI=1S/C10H12Cl2O2/c1-5-7(3-13)10(12)8(4-14)6(2)9(5)11/h13-14H,3-4H2,1-2H3
InChIKeyUTIUBQZJXSJCMU-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.59
Rot. Bonds2

About [2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol

[2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol (PubChem CID 11042693) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is [2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol.

Molecular Properties

Compound Name[2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol
PubChem CID11042693
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name[2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol
SMILESCc1c(Cl)c(C)c(CO)c(Cl)c1CO
InChIInChI=1S/C10H12Cl2O2/c1-5-7(3-13)10(12)8(4-14)6(2)9(5)11/h13-14H,3-4H2,1-2H3
InChIKeyUTIUBQZJXSJCMU-UHFFFAOYSA-N
XLogP2.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol?
The IUPAC name of [2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol (CID 11042693) is [2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol.
What is the SMILES notation for [2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol?
The canonical SMILES for [2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol is Cc1c(Cl)c(C)c(CO)c(Cl)c1CO.
What is the InChIKey of [2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol?
The InChIKey is UTIUBQZJXSJCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c1-5-7(3-13)10(12)8(4-14)6(2)9(5)11/h13-14H,3-4H2,1-2H3.
What are the key properties of [2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol?
[2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol has a molecular weight of 235.11 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dichloro-3-(hydroxymethyl)-4,6-dimethylphenyl]methanol is sourced from PubChem (CID 11042693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).