(4-chloro-2,3,5,6-tetramethylphenyl)methanol

C11H15ClO — CID 102487732

IUPAC(4-chloro-2,3,5,6-tetramethylphenyl)methanol
SMILESCc1c(C)c(CO)c(C)c(C)c1Cl
InChIInChI=1S/C11H15ClO/c1-6-8(3)11(12)9(4)7(2)10(6)5-13/h13H,5H2,1-4H3
InChIKeySHDBYADVYDDVPV-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.07
Rot. Bonds1

About (4-chloro-2,3,5,6-tetramethylphenyl)methanol

(4-chloro-2,3,5,6-tetramethylphenyl)methanol (PubChem CID 102487732) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is (4-chloro-2,3,5,6-tetramethylphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-2,3,5,6-tetramethylphenyl)methanol
PubChem CID102487732
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name(4-chloro-2,3,5,6-tetramethylphenyl)methanol
SMILESCc1c(C)c(CO)c(C)c(C)c1Cl
InChIInChI=1S/C11H15ClO/c1-6-8(3)11(12)9(4)7(2)10(6)5-13/h13H,5H2,1-4H3
InChIKeySHDBYADVYDDVPV-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,3,5,6-tetramethylphenyl)methanol?
The IUPAC name of (4-chloro-2,3,5,6-tetramethylphenyl)methanol (CID 102487732) is (4-chloro-2,3,5,6-tetramethylphenyl)methanol.
What is the SMILES notation for (4-chloro-2,3,5,6-tetramethylphenyl)methanol?
The canonical SMILES for (4-chloro-2,3,5,6-tetramethylphenyl)methanol is Cc1c(C)c(CO)c(C)c(C)c1Cl.
What is the InChIKey of (4-chloro-2,3,5,6-tetramethylphenyl)methanol?
The InChIKey is SHDBYADVYDDVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-6-8(3)11(12)9(4)7(2)10(6)5-13/h13H,5H2,1-4H3.
What are the key properties of (4-chloro-2,3,5,6-tetramethylphenyl)methanol?
(4-chloro-2,3,5,6-tetramethylphenyl)methanol has a molecular weight of 198.69 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,3,5,6-tetramethylphenyl)methanol is sourced from PubChem (CID 102487732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).