(1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol

C17H20O — CID 88694915

IUPAC(1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol
SMILESC=C/C=C/CC(C=C)C(O)/C=C/c1ccccc1
InChIInChI=1S/C17H20O/c1-3-5-7-12-16(4-2)17(18)14-13-15-10-8-6-9-11-15/h3-11,13-14,16-18H,1-2,12H2/b7-5+,14-13+
InChIKeyQPJSDPGRCPNMQK-JSTHUUKUSA-N
MW240.35 g/mol
LogP4.00
Rot. Bonds7

About (1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol

(1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol (PubChem CID 88694915) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is (1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol.

Molecular Properties

Compound Name(1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol
PubChem CID88694915
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name(1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol
SMILESC=C/C=C/CC(C=C)C(O)/C=C/c1ccccc1
InChIInChI=1S/C17H20O/c1-3-5-7-12-16(4-2)17(18)14-13-15-10-8-6-9-11-15/h3-11,13-14,16-18H,1-2,12H2/b7-5+,14-13+
InChIKeyQPJSDPGRCPNMQK-JSTHUUKUSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.00
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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Related Compounds

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CID 87421077
(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol
CID 134955286
(1E,3S,4S)-4-ethenyl-6-methyl-1-phenylhepta-1,5-dien-3-ol
CID 102250651
2-ethenyl-4-phenylbut-3-enoic acid
CID 54369219
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CID 11145187
benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
3-phenylprop-2-ene-1,1-diol
CID 54432533
buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol
CID 71511914
(1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol
CID 101265605
(3S,5E)-1-phenylsulfanylocta-5,7-dien-3-ol
CID 11402076

Frequently Asked Questions

What is the IUPAC name of (1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol?
The IUPAC name of (1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol (CID 88694915) is (1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol.
What is the SMILES notation for (1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol?
The canonical SMILES for (1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol is C=C/C=C/CC(C=C)C(O)/C=C/c1ccccc1.
What is the InChIKey of (1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol?
The InChIKey is QPJSDPGRCPNMQK-JSTHUUKUSA-N. The full InChI is InChI=1S/C17H20O/c1-3-5-7-12-16(4-2)17(18)14-13-15-10-8-6-9-11-15/h3-11,13-14,16-18H,1-2,12H2/b7-5+,14-13+.
What are the key properties of (1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol?
(1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol has a molecular weight of 240.35 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol is sourced from PubChem (CID 88694915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).