(E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol

C16H18O — CID 141066393

IUPAC(E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol
SMILESC/C=C/CCc1ccc(C#C/C=C/CO)cc1
InChIInChI=1S/C16H18O/c1-2-3-5-8-15-10-12-16(13-11-15)9-6-4-7-14-17/h2-4,7,10-13,17H,5,8,14H2,1H3/b3-2+,7-4+
InChIKeyKTSQHLROKCKSNI-AOGGBPEJSA-N
MW226.32 g/mol
LogP3.10
Rot. Bonds4

About (E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol

(E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol (PubChem CID 141066393) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is (E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol
PubChem CID141066393
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name(E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol
SMILESC/C=C/CCc1ccc(C#C/C=C/CO)cc1
InChIInChI=1S/C16H18O/c1-2-3-5-8-15-10-12-16(13-11-15)9-6-4-7-14-17/h2-4,7,10-13,17H,5,8,14H2,1H3/b3-2+,7-4+
InChIKeyKTSQHLROKCKSNI-AOGGBPEJSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-pent-3-enyl]benzonitrile
CID 83927480
1-fluoro-4-[4-[2-(4-pent-3-enylphenyl)ethynyl]phenyl]benzene
CID 139754130
1-butoxy-4-[2-(4-pent-3-enylphenyl)ethynyl]benzene
CID 139767162
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-pent-3-enyl-4-propylbenzene
CID 72599491
1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 139743480
2-fluoro-4-methyl-1-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]phenyl]benzene
CID 139764838
1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
CID 140774698
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
pent-3-enylbenzene
CID 519421
1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene
CID 154421723
1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339

Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol?
The IUPAC name of (E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol (CID 141066393) is (E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol.
What is the SMILES notation for (E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol?
The canonical SMILES for (E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol is C/C=C/CCc1ccc(C#C/C=C/CO)cc1.
What is the InChIKey of (E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol?
The InChIKey is KTSQHLROKCKSNI-AOGGBPEJSA-N. The full InChI is InChI=1S/C16H18O/c1-2-3-5-8-15-10-12-16(13-11-15)9-6-4-7-14-17/h2-4,7,10-13,17H,5,8,14H2,1H3/b3-2+,7-4+.
What are the key properties of (E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol?
(E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol has a molecular weight of 226.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[4-[(E)-pent-3-enyl]phenyl]pent-2-en-4-yn-1-ol is sourced from PubChem (CID 141066393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).