(3,5-dichloro-2,4,6-trimethylphenyl)methanol

C10H12Cl2O — CID 82645754

IUPAC(3,5-dichloro-2,4,6-trimethylphenyl)methanol
SMILESCc1c(Cl)c(C)c(CO)c(C)c1Cl
InChIInChI=1S/C10H12Cl2O/c1-5-8(4-13)6(2)10(12)7(3)9(5)11/h13H,4H2,1-3H3
InChIKeyPOFNNHQQVIHWEI-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.41
Rot. Bonds1

About (3,5-dichloro-2,4,6-trimethylphenyl)methanol

(3,5-dichloro-2,4,6-trimethylphenyl)methanol (PubChem CID 82645754) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is (3,5-dichloro-2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Name(3,5-dichloro-2,4,6-trimethylphenyl)methanol
PubChem CID82645754
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name(3,5-dichloro-2,4,6-trimethylphenyl)methanol
SMILESCc1c(Cl)c(C)c(CO)c(C)c1Cl
InChIInChI=1S/C10H12Cl2O/c1-5-8(4-13)6(2)10(12)7(3)9(5)11/h13H,4H2,1-3H3
InChIKeyPOFNNHQQVIHWEI-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2,4,6-trimethylphenyl)methanol?
The IUPAC name of (3,5-dichloro-2,4,6-trimethylphenyl)methanol (CID 82645754) is (3,5-dichloro-2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for (3,5-dichloro-2,4,6-trimethylphenyl)methanol?
The canonical SMILES for (3,5-dichloro-2,4,6-trimethylphenyl)methanol is Cc1c(Cl)c(C)c(CO)c(C)c1Cl.
What is the InChIKey of (3,5-dichloro-2,4,6-trimethylphenyl)methanol?
The InChIKey is POFNNHQQVIHWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-5-8(4-13)6(2)10(12)7(3)9(5)11/h13H,4H2,1-3H3.
What are the key properties of (3,5-dichloro-2,4,6-trimethylphenyl)methanol?
(3,5-dichloro-2,4,6-trimethylphenyl)methanol has a molecular weight of 219.11 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 82645754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).