6-methyl-2-(4-methylphenyl)heptan-2-ol

C15H24O — CID 78078204

IUPAC6-methyl-2-(4-methylphenyl)heptan-2-ol
SMILESCc1ccc(C(C)(O)CCCC(C)C)cc1
InChIInChI=1S/C15H24O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h7-10,12,16H,5-6,11H2,1-4H3
InChIKeyJBDWWZBHYDHBBW-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.03
Rot. Bonds5

About 6-methyl-2-(4-methylphenyl)heptan-2-ol

6-methyl-2-(4-methylphenyl)heptan-2-ol (PubChem CID 78078204) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)heptan-2-ol.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)heptan-2-ol
PubChem CID78078204
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6-methyl-2-(4-methylphenyl)heptan-2-ol
SMILESCc1ccc(C(C)(O)CCCC(C)C)cc1
InChIInChI=1S/C15H24O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h7-10,12,16H,5-6,11H2,1-4H3
InChIKeyJBDWWZBHYDHBBW-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)heptan-2-ol?
The IUPAC name of 6-methyl-2-(4-methylphenyl)heptan-2-ol (CID 78078204) is 6-methyl-2-(4-methylphenyl)heptan-2-ol.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)heptan-2-ol?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)heptan-2-ol is Cc1ccc(C(C)(O)CCCC(C)C)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)heptan-2-ol?
The InChIKey is JBDWWZBHYDHBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h7-10,12,16H,5-6,11H2,1-4H3.
What are the key properties of 6-methyl-2-(4-methylphenyl)heptan-2-ol?
6-methyl-2-(4-methylphenyl)heptan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)heptan-2-ol is sourced from PubChem (CID 78078204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).