(4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol

C14H16O — CID 16758963

IUPAC(4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol
SMILESC=C(C)C(O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C14H16O/c1-12(2)14(15)11-7-6-10-13-8-4-3-5-9-13/h3-11,14-15H,1H2,2H3/b10-6+,11-7+
InChIKeyQANYBZUFTNCOOT-JMQWPVDRSA-N
MW200.28 g/mol
LogP3.19
Rot. Bonds4

About (4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol

(4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol (PubChem CID 16758963) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol.

Molecular Properties

Compound Name(4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol
PubChem CID16758963
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol
SMILESC=C(C)C(O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C14H16O/c1-12(2)14(15)11-7-6-10-13-8-4-3-5-9-13/h3-11,14-15H,1H2,2H3/b10-6+,11-7+
InChIKeyQANYBZUFTNCOOT-JMQWPVDRSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol?
The IUPAC name of (4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol (CID 16758963) is (4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol.
What is the SMILES notation for (4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol?
The canonical SMILES for (4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol is C=C(C)C(O)/C=C/C=C/c1ccccc1.
What is the InChIKey of (4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol?
The InChIKey is QANYBZUFTNCOOT-JMQWPVDRSA-N. The full InChI is InChI=1S/C14H16O/c1-12(2)14(15)11-7-6-10-13-8-4-3-5-9-13/h3-11,14-15H,1H2,2H3/b10-6+,11-7+.
What are the key properties of (4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol?
(4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol has a molecular weight of 200.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol is sourced from PubChem (CID 16758963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).