2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol

C14H20O — CID 79334541

IUPAC2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol
SMILESCc1cc(C)cc(C=C(CO)C(C)C)c1
InChIInChI=1S/C14H20O/c1-10(2)14(9-15)8-13-6-11(3)5-12(4)7-13/h5-8,10,15H,9H2,1-4H3
InChIKeyBPDAIKIOKCZSSG-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.34
Rot. Bonds3

About 2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol

2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol (PubChem CID 79334541) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol
PubChem CID79334541
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol
SMILESCc1cc(C)cc(C=C(CO)C(C)C)c1
InChIInChI=1S/C14H20O/c1-10(2)14(9-15)8-13-6-11(3)5-12(4)7-13/h5-8,10,15H,9H2,1-4H3
InChIKeyBPDAIKIOKCZSSG-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.34
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)methylidene]-3-methylbutan-1-ol?
The IUPAC name of 2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol (CID 79334541) is 2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol is Cc1cc(C)cc(C=C(CO)C(C)C)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol?
The InChIKey is BPDAIKIOKCZSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10(2)14(9-15)8-13-6-11(3)5-12(4)7-13/h5-8,10,15H,9H2,1-4H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol?
2-[(3,5-dimethylphenyl)methylidene]-3-methylbutan-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.34, 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)methylidene]-3-methylbutan-1-ol is sourced from PubChem (CID 79334541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).