1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene

C21H26O — CID 70028075

IUPAC1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene
SMILESCCC/C=C/c1ccc(COc2ccc(CCC)cc2)cc1
InChIInChI=1S/C21H26O/c1-3-5-6-8-19-9-11-20(12-10-19)17-22-21-15-13-18(7-4-2)14-16-21/h6,8-16H,3-5,7,17H2,1-2H3/b8-6+
InChIKeyPNKOAOYCPGSIIK-SOFGYWHQSA-N
MW294.44 g/mol
LogP6.03
Rot. Bonds8

About 1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene

1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene (PubChem CID 70028075) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene
PubChem CID70028075
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene
SMILESCCC/C=C/c1ccc(COc2ccc(CCC)cc2)cc1
InChIInChI=1S/C21H26O/c1-3-5-6-8-19-9-11-20(12-10-19)17-22-21-15-13-18(7-4-2)14-16-21/h6,8-16H,3-5,7,17H2,1-2H3/b8-6+
InChIKeyPNKOAOYCPGSIIK-SOFGYWHQSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-heptyl-4-[[4-[(E)-pent-1-enyl]phenoxy]methyl]benzene
CID 22991613
1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene
CID 22991130
1-[(E)-hept-1-enyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 22991560
1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
CID 54159128
1-hexoxy-4-[(E)-pent-1-enyl]benzene
CID 173201966
1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene
CID 54142256
1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991602
4-[(E)-pent-1-enyl]phenol
CID 15576502
4-[(4-propylphenoxy)methyl]benzoate
CID 2336592
3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol
CID 169454334
5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine
CID 70594419
1-O-[[4-[[4-[(E)-pent-1-enyl]phenyl]methoxy]phenyl]methyl] 4-O-(2-phenylpropan-2-yl) (2R)-2-aminobutanedioate
CID 176928950

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene?
The IUPAC name of 1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene (CID 70028075) is 1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene.
What is the SMILES notation for 1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene?
The canonical SMILES for 1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene is CCC/C=C/c1ccc(COc2ccc(CCC)cc2)cc1.
What is the InChIKey of 1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene?
The InChIKey is PNKOAOYCPGSIIK-SOFGYWHQSA-N. The full InChI is InChI=1S/C21H26O/c1-3-5-6-8-19-9-11-20(12-10-19)17-22-21-15-13-18(7-4-2)14-16-21/h6,8-16H,3-5,7,17H2,1-2H3/b8-6+.
What are the key properties of 1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene?
1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene has a molecular weight of 294.44 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene is sourced from PubChem (CID 70028075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).