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

C18H18O — CID 54330493

IUPAC3-(3-phenylprop-2-enoxy)prop-1-enylbenzene
SMILESC(=Cc1ccccc1)COCC=Cc1ccccc1
InChIInChI=1S/C18H18O/c1-3-9-17(10-4-1)13-7-15-19-16-8-14-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeySXZQETPZXHHVOY-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.43
Rot. Bonds6

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

3-(3-phenylprop-2-enoxy)prop-1-enylbenzene (PubChem CID 54330493) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(3-phenylprop-2-enoxy)prop-1-enylbenzene.

Molecular Properties

Compound Name3-(3-phenylprop-2-enoxy)prop-1-enylbenzene
PubChem CID54330493
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name3-(3-phenylprop-2-enoxy)prop-1-enylbenzene
SMILESC(=Cc1ccccc1)COCC=Cc1ccccc1
InChIInChI=1S/C18H18O/c1-3-9-17(10-4-1)13-7-15-19-16-8-14-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeySXZQETPZXHHVOY-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylprop-2-enoxy)prop-1-enylbenzene?
The IUPAC name of 3-(3-phenylprop-2-enoxy)prop-1-enylbenzene (CID 54330493) is 3-(3-phenylprop-2-enoxy)prop-1-enylbenzene.
What is the SMILES notation for 3-(3-phenylprop-2-enoxy)prop-1-enylbenzene?
The canonical SMILES for 3-(3-phenylprop-2-enoxy)prop-1-enylbenzene is C(=Cc1ccccc1)COCC=Cc1ccccc1.
What is the InChIKey of 3-(3-phenylprop-2-enoxy)prop-1-enylbenzene?
The InChIKey is SXZQETPZXHHVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-3-9-17(10-4-1)13-7-15-19-16-8-14-18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of 3-(3-phenylprop-2-enoxy)prop-1-enylbenzene?
3-(3-phenylprop-2-enoxy)prop-1-enylbenzene has a molecular weight of 250.34 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylprop-2-enoxy)prop-1-enylbenzene is sourced from PubChem (CID 54330493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).