1-but-3-enyl-2-chloro-4,5-diethoxybenzene

C14H19ClO2 — CID 83943749

IUPAC1-but-3-enyl-2-chloro-4,5-diethoxybenzene
SMILESC=CCCc1cc(OCC)c(OCC)cc1Cl
InChIInChI=1S/C14H19ClO2/c1-4-7-8-11-9-13(16-5-2)14(17-6-3)10-12(11)15/h4,9-10H,1,5-8H2,2-3H3
InChIKeyALJJNHJXGNMCEY-UHFFFAOYSA-N
MW254.76 g/mol
LogP4.26
Rot. Bonds7

About 1-but-3-enyl-2-chloro-4,5-diethoxybenzene

1-but-3-enyl-2-chloro-4,5-diethoxybenzene (PubChem CID 83943749) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-but-3-enyl-2-chloro-4,5-diethoxybenzene.

Molecular Properties

Compound Name1-but-3-enyl-2-chloro-4,5-diethoxybenzene
PubChem CID83943749
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-but-3-enyl-2-chloro-4,5-diethoxybenzene
SMILESC=CCCc1cc(OCC)c(OCC)cc1Cl
InChIInChI=1S/C14H19ClO2/c1-4-7-8-11-9-13(16-5-2)14(17-6-3)10-12(11)15/h4,9-10H,1,5-8H2,2-3H3
InChIKeyALJJNHJXGNMCEY-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-enyl-4,5-diethoxy-2-fluorobenzene
CID 83923126
1-chloro-4,5-diethoxy-2-(2-methylbut-3-enyl)benzene
CID 83943768
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]prop-2-en-1-amine
CID 66530458
2-but-3-enyl-1-ethoxy-4-fluorobenzene
CID 83944059
1-(2-chloro-4,5-diethoxyphenyl)hexane-3,4-diol
CID 83943792
2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine
CID 65302814
1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene
CID 83943763
2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene
CID 83921215
1-[(2-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385814
1-(2-chloro-4,5-diethoxyphenyl)prop-2-en-1-one
CID 83959394
(2-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl-[(1R,2R)-2-methylcyclohexyl]azanium
CID 2238140
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 66541765

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2-chloro-4,5-diethoxybenzene?
The IUPAC name of 1-but-3-enyl-2-chloro-4,5-diethoxybenzene (CID 83943749) is 1-but-3-enyl-2-chloro-4,5-diethoxybenzene.
What is the SMILES notation for 1-but-3-enyl-2-chloro-4,5-diethoxybenzene?
The canonical SMILES for 1-but-3-enyl-2-chloro-4,5-diethoxybenzene is C=CCCc1cc(OCC)c(OCC)cc1Cl.
What is the InChIKey of 1-but-3-enyl-2-chloro-4,5-diethoxybenzene?
The InChIKey is ALJJNHJXGNMCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-4-7-8-11-9-13(16-5-2)14(17-6-3)10-12(11)15/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 1-but-3-enyl-2-chloro-4,5-diethoxybenzene?
1-but-3-enyl-2-chloro-4,5-diethoxybenzene has a molecular weight of 254.76 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2-chloro-4,5-diethoxybenzene is sourced from PubChem (CID 83943749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).