2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol

C15H24O — CID 83138776

IUPAC2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol
SMILESCc1cc(C)cc(CC(CO)C(C)(C)C)c1
InChIInChI=1S/C15H24O/c1-11-6-12(2)8-13(7-11)9-14(10-16)15(3,4)5/h6-8,14,16H,9-10H2,1-5H3
InChIKeyUVTSRGRSAHCNDK-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.50
Rot. Bonds3

About 2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol

2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol (PubChem CID 83138776) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol
PubChem CID83138776
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol
SMILESCc1cc(C)cc(CC(CO)C(C)(C)C)c1
InChIInChI=1S/C15H24O/c1-11-6-12(2)8-13(7-11)9-14(10-16)15(3,4)5/h6-8,14,16H,9-10H2,1-5H3
InChIKeyUVTSRGRSAHCNDK-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol (CID 83138776) is 2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol is Cc1cc(C)cc(CC(CO)C(C)(C)C)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol?
The InChIKey is UVTSRGRSAHCNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11-6-12(2)8-13(7-11)9-14(10-16)15(3,4)5/h6-8,14,16H,9-10H2,1-5H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol?
2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 83138776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).