1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene

C20H24O2 — CID 101232292

IUPAC1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
SMILESC=CCCCCOc1ccc(Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24O2/c1-3-4-5-6-15-22-20-13-9-18(10-14-20)16-17-7-11-19(21-2)12-8-17/h3,7-14H,1,4-6,15-16H2,2H3
InChIKeyZKZZGDFKJHISAT-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.02
Rot. Bonds9

About 1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene

1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene (PubChem CID 101232292) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
PubChem CID101232292
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
SMILESC=CCCCCOc1ccc(Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24O2/c1-3-4-5-6-15-22-20-13-9-18(10-14-20)16-17-7-11-19(21-2)12-8-17/h3,7-14H,1,4-6,15-16H2,2H3
InChIKeyZKZZGDFKJHISAT-UHFFFAOYSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene
CID 144875498
1-ethyl-4-oct-7-enoxybenzene
CID 158431404
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene
CID 144539206
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene
CID 59168518
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
anisole;but-3-enoxybenzene
CID 174761838
(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
CID 71359272
1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene
CID 22082109
N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine
CID 113322961

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene?
The IUPAC name of 1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene (CID 101232292) is 1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene is C=CCCCCOc1ccc(Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene?
The InChIKey is ZKZZGDFKJHISAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-3-4-5-6-15-22-20-13-9-18(10-14-20)16-17-7-11-19(21-2)12-8-17/h3,7-14H,1,4-6,15-16H2,2H3.
What are the key properties of 1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene?
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene has a molecular weight of 296.41 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 101232292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).