(3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol

C14H18O — CID 118715381

IUPAC(3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol
SMILESC/C(=C\C=C\C(C)(C)O)c1ccccc1
InChIInChI=1S/C14H18O/c1-12(8-7-11-14(2,3)15)13-9-5-4-6-10-13/h4-11,15H,1-3H3/b11-7+,12-8+
InChIKeyXVEHBNIOMHJLRC-MKICQXMISA-N
MW202.30 g/mol
LogP3.42
Rot. Bonds3

About (3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol

(3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol (PubChem CID 118715381) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol
PubChem CID118715381
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol
SMILESC/C(=C\C=C\C(C)(C)O)c1ccccc1
InChIInChI=1S/C14H18O/c1-12(8-7-11-14(2,3)15)13-9-5-4-6-10-13/h4-11,15H,1-3H3/b11-7+,12-8+
InChIKeyXVEHBNIOMHJLRC-MKICQXMISA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol?
The IUPAC name of (3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol (CID 118715381) is (3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol.
What is the SMILES notation for (3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol?
The canonical SMILES for (3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol is C/C(=C\C=C\C(C)(C)O)c1ccccc1.
What is the InChIKey of (3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol?
The InChIKey is XVEHBNIOMHJLRC-MKICQXMISA-N. The full InChI is InChI=1S/C14H18O/c1-12(8-7-11-14(2,3)15)13-9-5-4-6-10-13/h4-11,15H,1-3H3/b11-7+,12-8+.
What are the key properties of (3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol?
(3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol has a molecular weight of 202.30 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2-methyl-6-phenylhepta-3,5-dien-2-ol is sourced from PubChem (CID 118715381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).