3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene

C18H16O — CID 102284617

IUPAC3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene
SMILESC=CC(OCC#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O/c1-2-18(17-13-7-4-8-14-17)19-15-9-12-16-10-5-3-6-11-16/h2-8,10-11,13-14,18H,1,15H2
InChIKeyIVXZJBXAFMDOFK-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.98
Rot. Bonds4

About 3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene

3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene (PubChem CID 102284617) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene.

Molecular Properties

Compound Name3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene
PubChem CID102284617
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene
SMILESC=CC(OCC#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O/c1-2-18(17-13-7-4-8-14-17)19-15-9-12-16-10-5-3-6-11-16/h2-8,10-11,13-14,18H,1,15H2
InChIKeyIVXZJBXAFMDOFK-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
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

3-but-3-en-2-yloxyprop-1-ynylbenzene
CID 11412798
3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene
CID 139254506
1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene
CID 67821654
1-phenoxyprop-2-enylbenzene
CID 11735962
1-methoxyprop-2-enylbenzene
CID 11029990
2-(1-phenylprop-2-enoxymethyl)oxirane
CID 22186254
1-nonadecoxyprop-2-enylbenzene
CID 139672742
1-tridecoxyprop-2-enylbenzene
CID 139672746
1-[2-(trifluoromethyl)prop-2-enoxy]prop-2-enylbenzene
CID 11253515
1-ethenylperoxyprop-2-enylbenzene
CID 88766923
1-prop-2-ynoxybuta-2,3-dienylbenzene
CID 11217642
1-[1-[1-(1-phenylprop-2-enoxy)ethylsulfanyl]ethoxy]prop-2-enylbenzene
CID 19001747

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene?
The IUPAC name of 3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene (CID 102284617) is 3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene.
What is the SMILES notation for 3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene?
The canonical SMILES for 3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene is C=CC(OCC#Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene?
The InChIKey is IVXZJBXAFMDOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-2-18(17-13-7-4-8-14-17)19-15-9-12-16-10-5-3-6-11-16/h2-8,10-11,13-14,18H,1,15H2.
What are the key properties of 3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene?
3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene has a molecular weight of 248.32 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylprop-2-enoxy)prop-1-ynylbenzene is sourced from PubChem (CID 102284617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).