4-(2-methylphenyl)hexa-2,3-dien-1-ol

C13H16O — CID 134858645

IUPAC4-(2-methylphenyl)hexa-2,3-dien-1-ol
SMILESCCC(=C=CCO)c1ccccc1C
InChIInChI=1S/C13H16O/c1-3-12(8-6-10-14)13-9-5-4-7-11(13)2/h4-7,9,14H,3,10H2,1-2H3
InChIKeyMPKNMWMLPJAQPW-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.94
Rot. Bonds3

About 4-(2-methylphenyl)hexa-2,3-dien-1-ol

4-(2-methylphenyl)hexa-2,3-dien-1-ol (PubChem CID 134858645) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(2-methylphenyl)hexa-2,3-dien-1-ol.

Molecular Properties

Compound Name4-(2-methylphenyl)hexa-2,3-dien-1-ol
PubChem CID134858645
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4-(2-methylphenyl)hexa-2,3-dien-1-ol
SMILESCCC(=C=CCO)c1ccccc1C
InChIInChI=1S/C13H16O/c1-3-12(8-6-10-14)13-9-5-4-7-11(13)2/h4-7,9,14H,3,10H2,1-2H3
InChIKeyMPKNMWMLPJAQPW-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)hexa-2,3-dien-1-ol?
The IUPAC name of 4-(2-methylphenyl)hexa-2,3-dien-1-ol (CID 134858645) is 4-(2-methylphenyl)hexa-2,3-dien-1-ol.
What is the SMILES notation for 4-(2-methylphenyl)hexa-2,3-dien-1-ol?
The canonical SMILES for 4-(2-methylphenyl)hexa-2,3-dien-1-ol is CCC(=C=CCO)c1ccccc1C.
What is the InChIKey of 4-(2-methylphenyl)hexa-2,3-dien-1-ol?
The InChIKey is MPKNMWMLPJAQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-3-12(8-6-10-14)13-9-5-4-7-11(13)2/h4-7,9,14H,3,10H2,1-2H3.
What are the key properties of 4-(2-methylphenyl)hexa-2,3-dien-1-ol?
4-(2-methylphenyl)hexa-2,3-dien-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)hexa-2,3-dien-1-ol is sourced from PubChem (CID 134858645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).