2-methyl-6-phenylhexa-3,4-dien-2-ol

C13H16O — CID 134995194

IUPAC2-methyl-6-phenylhexa-3,4-dien-2-ol
SMILESCC(C)(O)C=C=CCc1ccccc1
InChIInChI=1S/C13H16O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-9,11,14H,10H2,1-2H3
InChIKeyYEFSYKHHZWWPGQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.71
Rot. Bonds3

About 2-methyl-6-phenylhexa-3,4-dien-2-ol

2-methyl-6-phenylhexa-3,4-dien-2-ol (PubChem CID 134995194) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methyl-6-phenylhexa-3,4-dien-2-ol.

Molecular Properties

Compound Name2-methyl-6-phenylhexa-3,4-dien-2-ol
PubChem CID134995194
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-methyl-6-phenylhexa-3,4-dien-2-ol
SMILESCC(C)(O)C=C=CCc1ccccc1
InChIInChI=1S/C13H16O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-9,11,14H,10H2,1-2H3
InChIKeyYEFSYKHHZWWPGQ-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylhexa-3,4-dien-2-ol?
The IUPAC name of 2-methyl-6-phenylhexa-3,4-dien-2-ol (CID 134995194) is 2-methyl-6-phenylhexa-3,4-dien-2-ol.
What is the SMILES notation for 2-methyl-6-phenylhexa-3,4-dien-2-ol?
The canonical SMILES for 2-methyl-6-phenylhexa-3,4-dien-2-ol is CC(C)(O)C=C=CCc1ccccc1.
What is the InChIKey of 2-methyl-6-phenylhexa-3,4-dien-2-ol?
The InChIKey is YEFSYKHHZWWPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-9,11,14H,10H2,1-2H3.
What are the key properties of 2-methyl-6-phenylhexa-3,4-dien-2-ol?
2-methyl-6-phenylhexa-3,4-dien-2-ol has a molecular weight of 188.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylhexa-3,4-dien-2-ol is sourced from PubChem (CID 134995194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).