1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene

C23H28O2 — CID 59168492

IUPAC1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene
SMILESC=CCCOc1ccc(C(C)(C)c2ccc(OCCC=C)cc2)cc1
InChIInChI=1S/C23H28O2/c1-5-7-17-24-21-13-9-19(10-14-21)23(3,4)20-11-15-22(16-12-20)25-18-8-6-2/h5-6,9-16H,1-2,7-8,17-18H2,3-4H3
InChIKeyHRHJXEGZQZOZQK-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.92
Rot. Bonds10

About 1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene

1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene (PubChem CID 59168492) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene
PubChem CID59168492
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene
SMILESC=CCCOc1ccc(C(C)(C)c2ccc(OCCC=C)cc2)cc1
InChIInChI=1S/C23H28O2/c1-5-7-17-24-21-13-9-19(10-14-21)23(3,4)20-11-15-22(16-12-20)25-18-8-6-2/h5-6,9-16H,1-2,7-8,17-18H2,3-4H3
InChIKeyHRHJXEGZQZOZQK-UHFFFAOYSA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.92
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-but-3-enoxy-4-tert-butylbenzene
CID 42600781
1-but-3-enoxy-4-[1-[4-[4-[4-[1-(4-but-3-enoxyphenyl)-1-phenylethyl]phenoxy]butoxy]phenyl]-1-phenylethyl]benzene
CID 158223803
2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol
CID 154369507
3-[4-(2-phenylpropan-2-yl)phenoxy]-N-prop-2-enylpropan-1-amine
CID 2581421
2-(4-propoxyphenyl)hex-5-en-2-ol
CID 104656350
1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene
CID 21305906
CID 58891754
CID 58891754
anisole;but-3-enoxybenzene
CID 174761838
(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
CID 71359272
N-(4-but-3-enoxyphenyl)acetamide
CID 11195080
3-[3-[4-[2-[4-[3-(3-prop-2-enoyloxypropoxy)propoxy]phenyl]propan-2-yl]phenoxy]propoxy]propyl prop-2-enoate
CID 57128581
2-[4-[2-[4-(2-oxoethoxy)phenyl]propan-2-yl]phenoxy]acetaldehyde
CID 19379183

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene?
The IUPAC name of 1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene (CID 59168492) is 1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene is C=CCCOc1ccc(C(C)(C)c2ccc(OCCC=C)cc2)cc1.
What is the InChIKey of 1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene?
The InChIKey is HRHJXEGZQZOZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-5-7-17-24-21-13-9-19(10-14-21)23(3,4)20-11-15-22(16-12-20)25-18-8-6-2/h5-6,9-16H,1-2,7-8,17-18H2,3-4H3.
What are the key properties of 1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene?
1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene has a molecular weight of 336.48 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene is sourced from PubChem (CID 59168492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).