1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne

C15H14 — CID 143564925

IUPAC1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne
SMILESCCC(c1c#cccc1)c1ccccc1
InChIInChI=1S/C15H14/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-7,9-11,15H,2H2,1H3
InChIKeyUFCPTBZNFUJNMF-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.83
Rot. Bonds3

About 1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne

1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne (PubChem CID 143564925) has the molecular formula C15H14 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne.

Molecular Properties

Compound Name1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne
PubChem CID143564925
Molecular FormulaC15H14
Molecular Weight194.28 g/mol
Exact Mass194.11
IUPAC Name1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne
SMILESCCC(c1c#cccc1)c1ccccc1
InChIInChI=1S/C15H14/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-7,9-11,15H,2H2,1H3
InChIKeyUFCPTBZNFUJNMF-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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cumene;2-methylpropane;propane
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azane;pentan-3-ylbenzene
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3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
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CID 175403062
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine
CID 744071
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CID 67056293

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne?
The IUPAC name of 1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne (CID 143564925) is 1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne.
What is the SMILES notation for 1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne?
The canonical SMILES for 1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne is CCC(c1c#cccc1)c1ccccc1.
What is the InChIKey of 1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne?
The InChIKey is UFCPTBZNFUJNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-7,9-11,15H,2H2,1H3.
What are the key properties of 1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne?
1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne has a molecular weight of 194.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropyl)cyclohexa-1,3-dien-5-yne is sourced from PubChem (CID 143564925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).