4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol

C16H24O — CID 65086146

IUPAC4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol
SMILESCc1ccccc1C1(O)CCCC(C)(C)CC1
InChIInChI=1S/C16H24O/c1-13-7-4-5-8-14(13)16(17)10-6-9-15(2,3)11-12-16/h4-5,7-8,17H,6,9-12H2,1-3H3
InChIKeyYLYMAYMWGDTMDL-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.17
Rot. Bonds1

About 4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol

4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol (PubChem CID 65086146) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol
PubChem CID65086146
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol
SMILESCc1ccccc1C1(O)CCCC(C)(C)CC1
InChIInChI=1S/C16H24O/c1-13-7-4-5-8-14(13)16(17)10-6-9-15(2,3)11-12-16/h4-5,7-8,17H,6,9-12H2,1-3H3
InChIKeyYLYMAYMWGDTMDL-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol (CID 65086146) is 4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol is Cc1ccccc1C1(O)CCCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol?
The InChIKey is YLYMAYMWGDTMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-13-7-4-5-8-14(13)16(17)10-6-9-15(2,3)11-12-16/h4-5,7-8,17H,6,9-12H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol?
4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol is sourced from PubChem (CID 65086146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).