2-[(1Z,3Z)-hexa-1,3-dienyl]phenol

C12H14O — CID 89362238

IUPAC2-[(1Z,3Z)-hexa-1,3-dienyl]phenol
SMILESCC/C=C\C=C/c1ccccc1O
InChIInChI=1S/C12H14O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h3-10,13H,2H2,1H3/b4-3-,8-5-
InChIKeyNTLCYZQWDHZWMB-UBNNFMAXSA-N
MW174.24 g/mol
LogP3.37
Rot. Bonds3

About 2-[(1Z,3Z)-hexa-1,3-dienyl]phenol

2-[(1Z,3Z)-hexa-1,3-dienyl]phenol (PubChem CID 89362238) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[(1Z,3Z)-hexa-1,3-dienyl]phenol.

Molecular Properties

Compound Name2-[(1Z,3Z)-hexa-1,3-dienyl]phenol
PubChem CID89362238
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-[(1Z,3Z)-hexa-1,3-dienyl]phenol
SMILESCC/C=C\C=C/c1ccccc1O
InChIInChI=1S/C12H14O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h3-10,13H,2H2,1H3/b4-3-,8-5-
InChIKeyNTLCYZQWDHZWMB-UBNNFMAXSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-hexa-1,3-dienylbenzene-1,2-diol
CID 139623398
2-octa-1,3-dienylphenol
CID 54092888
2-penta-1,3-dienylphenol
CID 141162259
ethane;2-[(Z)-pent-1-enyl]phenol
CID 142052125
1,2-bis(but-1-enyl)benzene
CID 140975855
2-(3-sulfanylprop-1-enyl)phenol
CID 169454568
2-[(E)-4-aminohex-1-enyl]phenol
CID 55254229
3-[(E)-but-1-enyl]-2-methylphenol
CID 173140204
(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
CID 142095527
2-(4-sulfanylbut-1-enyl)phenol
CID 170477733
2-[(E)-but-1-enyl]benzene-1,4-diol
CID 19910488

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,3Z)-hexa-1,3-dienyl]phenol?
The IUPAC name of 2-[(1Z,3Z)-hexa-1,3-dienyl]phenol (CID 89362238) is 2-[(1Z,3Z)-hexa-1,3-dienyl]phenol.
What is the SMILES notation for 2-[(1Z,3Z)-hexa-1,3-dienyl]phenol?
The canonical SMILES for 2-[(1Z,3Z)-hexa-1,3-dienyl]phenol is CC/C=C\C=C/c1ccccc1O.
What is the InChIKey of 2-[(1Z,3Z)-hexa-1,3-dienyl]phenol?
The InChIKey is NTLCYZQWDHZWMB-UBNNFMAXSA-N. The full InChI is InChI=1S/C12H14O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h3-10,13H,2H2,1H3/b4-3-,8-5-.
What are the key properties of 2-[(1Z,3Z)-hexa-1,3-dienyl]phenol?
2-[(1Z,3Z)-hexa-1,3-dienyl]phenol has a molecular weight of 174.24 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,3Z)-hexa-1,3-dienyl]phenol is sourced from PubChem (CID 89362238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).