1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene

C18H18O — CID 67686849

IUPAC1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene
SMILESC=CCc1ccc(Oc2cccc(CC=C)c2)cc1
InChIInChI=1S/C18H18O/c1-3-6-15-10-12-17(13-11-15)19-18-9-5-8-16(14-18)7-4-2/h3-5,8-14H,1-2,6-7H2
InChIKeyJHHIUTRNUKUXAQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.94
Rot. Bonds6

About 1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene

1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene (PubChem CID 67686849) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene.

Molecular Properties

Compound Name1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene
PubChem CID67686849
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene
SMILESC=CCc1ccc(Oc2cccc(CC=C)c2)cc1
InChIInChI=1S/C18H18O/c1-3-6-15-10-12-17(13-11-15)19-18-9-5-8-16(14-18)7-4-2/h3-5,8-14H,1-2,6-7H2
InChIKeyJHHIUTRNUKUXAQ-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enoxy-3-prop-2-enylbenzene
CID 67362226
4-(4-prop-2-enylphenoxy)phenol
CID 141330239
(3-prop-2-enylphenyl) cyanate
CID 23312457
1-prop-2-enyl-3-propoxybenzene
CID 91655995
2-[3-(4-fluorophenoxy)phenyl]acetaldehyde
CID 170962590
1-(2-methylpropoxy)-3-prop-2-enylbenzene
CID 91656681
1-[(E)-but-2-enyl]-3-phenoxybenzene
CID 23463492
1-fluoro-2-phenoxy-4-prop-2-enylbenzene
CID 11075159
fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene
CID 175557929
1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene
CID 134504728
1-pent-2-enyl-3-phenoxybenzene
CID 70370206
prop-2-enylbenzene
CID 159998516

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene?
The IUPAC name of 1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene (CID 67686849) is 1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene.
What is the SMILES notation for 1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene?
The canonical SMILES for 1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene is C=CCc1ccc(Oc2cccc(CC=C)c2)cc1.
What is the InChIKey of 1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene?
The InChIKey is JHHIUTRNUKUXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-3-6-15-10-12-17(13-11-15)19-18-9-5-8-16(14-18)7-4-2/h3-5,8-14H,1-2,6-7H2.
What are the key properties of 1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene?
1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene has a molecular weight of 250.34 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene is sourced from PubChem (CID 67686849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).