(2,3,4,5,6-pentamethylphenyl)methanol

C12H18O — CID 1241629

IUPAC(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCc1c(C)c(C)c(CO)c(C)c1C
InChIInChI=1S/C12H18O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h13H,6H2,1-5H3
InChIKeyCMBCAWNOBIGGTE-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.72
Rot. Bonds1

About (2,3,4,5,6-pentamethylphenyl)methanol

(2,3,4,5,6-pentamethylphenyl)methanol (PubChem CID 1241629) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (2,3,4,5,6-pentamethylphenyl)methanol.

Molecular Properties

Compound Name(2,3,4,5,6-pentamethylphenyl)methanol
PubChem CID1241629
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCc1c(C)c(C)c(CO)c(C)c1C
InChIInChI=1S/C12H18O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h13H,6H2,1-5H3
InChIKeyCMBCAWNOBIGGTE-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentamethylphenyl)methanol?
The IUPAC name of (2,3,4,5,6-pentamethylphenyl)methanol (CID 1241629) is (2,3,4,5,6-pentamethylphenyl)methanol.
What is the SMILES notation for (2,3,4,5,6-pentamethylphenyl)methanol?
The canonical SMILES for (2,3,4,5,6-pentamethylphenyl)methanol is Cc1c(C)c(C)c(CO)c(C)c1C.
What is the InChIKey of (2,3,4,5,6-pentamethylphenyl)methanol?
The InChIKey is CMBCAWNOBIGGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h13H,6H2,1-5H3.
What are the key properties of (2,3,4,5,6-pentamethylphenyl)methanol?
(2,3,4,5,6-pentamethylphenyl)methanol has a molecular weight of 178.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentamethylphenyl)methanol is sourced from PubChem (CID 1241629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).