1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene

C20H24O — CID 118960625

IUPAC1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene
SMILESCC(C)CCCOc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H24O/c1-17(2)7-6-16-21-20-14-12-19(13-15-20)11-10-18-8-4-3-5-9-18/h3-5,8-15,17H,6-7,16H2,1-2H3/b11-10+
InChIKeyGACLDGLYUGFLOU-ZHACJKMWSA-N
MW280.41 g/mol
LogP5.67
Rot. Bonds7

About 1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene

1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene (PubChem CID 118960625) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene
PubChem CID118960625
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene
SMILESCC(C)CCCOc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H24O/c1-17(2)7-6-16-21-20-14-12-19(13-15-20)11-10-18-8-4-3-5-9-18/h3-5,8-15,17H,6-7,16H2,1-2H3/b11-10+
InChIKeyGACLDGLYUGFLOU-ZHACJKMWSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloropropoxy)-4-[(E)-2-phenylethenyl]benzene
CID 23150283
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
1-(4-methylpentoxy)-4-phenylbenzene
CID 19777688
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium
CID 6604856
(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol
CID 70597845
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
4-(4-methylpentoxy)benzoic acid
CID 22645282
1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene
CID 168849749
4-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]butyl-triphenylphosphanium
CID 44589590
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene (CID 118960625) is 1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene is CC(C)CCCOc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene?
The InChIKey is GACLDGLYUGFLOU-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H24O/c1-17(2)7-6-16-21-20-14-12-19(13-15-20)11-10-18-8-4-3-5-9-18/h3-5,8-15,17H,6-7,16H2,1-2H3/b11-10+.
What are the key properties of 1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene?
1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene has a molecular weight of 280.41 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 118960625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).