4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene

C15H21ClO — CID 83933310

IUPAC4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene
SMILESCC/C=C\CC(C)c1cc(Cl)ccc1OCC
InChIInChI=1S/C15H21ClO/c1-4-6-7-8-12(3)14-11-13(16)9-10-15(14)17-5-2/h6-7,9-12H,4-5,8H2,1-3H3/b7-6-
InChIKeySLGRKEPBDXMIDW-SREVYHEPSA-N
MW252.78 g/mol
LogP5.20
Rot. Bonds6

About 4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene

4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene (PubChem CID 83933310) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene.

Molecular Properties

Compound Name4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene
PubChem CID83933310
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene
SMILESCC/C=C\CC(C)c1cc(Cl)ccc1OCC
InChIInChI=1S/C15H21ClO/c1-4-6-7-8-12(3)14-11-13(16)9-10-15(14)17-5-2/h6-7,9-12H,4-5,8H2,1-3H3/b7-6-
InChIKeySLGRKEPBDXMIDW-SREVYHEPSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.78
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromobutan-2-yl)-4-chloro-1-ethoxybenzene
CID 83933223
4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol
CID 83933329
1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene
CID 83943357
3-(5-chloro-2-ethoxyphenyl)butyl thiocyanate
CID 112718719
3-(5-chloro-2-methoxyphenyl)butanal
CID 83835315
2-[2-(5-chloro-2-ethoxyphenyl)butyl]-3-ethyloxirane
CID 83933316
1-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369844
5-chloro-2-ethoxybenzenethiol
CID 91656523
5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol
CID 83933462
4-(5-chloro-2-ethoxyphenyl)hexan-1-amine
CID 83933222
4-chloro-2-[chloro-(2-ethoxyphenyl)methyl]-1-methoxybenzene
CID 104546392
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene?
The IUPAC name of 4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene (CID 83933310) is 4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene.
What is the SMILES notation for 4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene?
The canonical SMILES for 4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene is CC/C=C\CC(C)c1cc(Cl)ccc1OCC.
What is the InChIKey of 4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene?
The InChIKey is SLGRKEPBDXMIDW-SREVYHEPSA-N. The full InChI is InChI=1S/C15H21ClO/c1-4-6-7-8-12(3)14-11-13(16)9-10-15(14)17-5-2/h6-7,9-12H,4-5,8H2,1-3H3/b7-6-.
What are the key properties of 4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene?
4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene has a molecular weight of 252.78 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene is sourced from PubChem (CID 83933310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).