2-[(3Z)-3-methylhepta-3,6-dienyl]phenol

C14H18O — CID 135084324

IUPAC2-[(3Z)-3-methylhepta-3,6-dienyl]phenol
SMILESC=CC/C=C(/C)CCc1ccccc1O
InChIInChI=1S/C14H18O/c1-3-4-7-12(2)10-11-13-8-5-6-9-14(13)15/h3,5-9,15H,1,4,10-11H2,2H3/b12-7-
InChIKeyDXLJANKLBLHONE-GHXNOFRVSA-N
MW202.30 g/mol
LogP3.85
Rot. Bonds5

About 2-[(3Z)-3-methylhepta-3,6-dienyl]phenol

2-[(3Z)-3-methylhepta-3,6-dienyl]phenol (PubChem CID 135084324) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[(3Z)-3-methylhepta-3,6-dienyl]phenol.

Molecular Properties

Compound Name2-[(3Z)-3-methylhepta-3,6-dienyl]phenol
PubChem CID135084324
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-[(3Z)-3-methylhepta-3,6-dienyl]phenol
SMILESC=CC/C=C(/C)CCc1ccccc1O
InChIInChI=1S/C14H18O/c1-3-4-7-12(2)10-11-13-8-5-6-9-14(13)15/h3,5-9,15H,1,4,10-11H2,2H3/b12-7-
InChIKeyDXLJANKLBLHONE-GHXNOFRVSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-3-methylhepta-3,6-dienyl]phenol?
The IUPAC name of 2-[(3Z)-3-methylhepta-3,6-dienyl]phenol (CID 135084324) is 2-[(3Z)-3-methylhepta-3,6-dienyl]phenol.
What is the SMILES notation for 2-[(3Z)-3-methylhepta-3,6-dienyl]phenol?
The canonical SMILES for 2-[(3Z)-3-methylhepta-3,6-dienyl]phenol is C=CC/C=C(/C)CCc1ccccc1O.
What is the InChIKey of 2-[(3Z)-3-methylhepta-3,6-dienyl]phenol?
The InChIKey is DXLJANKLBLHONE-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H18O/c1-3-4-7-12(2)10-11-13-8-5-6-9-14(13)15/h3,5-9,15H,1,4,10-11H2,2H3/b12-7-.
What are the key properties of 2-[(3Z)-3-methylhepta-3,6-dienyl]phenol?
2-[(3Z)-3-methylhepta-3,6-dienyl]phenol has a molecular weight of 202.30 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-3-methylhepta-3,6-dienyl]phenol is sourced from PubChem (CID 135084324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).