1-chloro-4-(1-non-8-enoxyethyl)benzene

C17H25ClO — CID 155664436

IUPAC1-chloro-4-(1-non-8-enoxyethyl)benzene
SMILESC=CCCCCCCCOC(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClO/c1-3-4-5-6-7-8-9-14-19-15(2)16-10-12-17(18)13-11-16/h3,10-13,15H,1,4-9,14H2,2H3
InChIKeyHMWZLYJVUFKGGT-UHFFFAOYSA-N
MW280.84 g/mol
LogP5.94
Rot. Bonds10

About 1-chloro-4-(1-non-8-enoxyethyl)benzene

1-chloro-4-(1-non-8-enoxyethyl)benzene (PubChem CID 155664436) has the molecular formula C17H25ClO and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-chloro-4-(1-non-8-enoxyethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1-non-8-enoxyethyl)benzene
PubChem CID155664436
Molecular FormulaC17H25ClO
Molecular Weight280.84 g/mol
Exact Mass280.16
IUPAC Name1-chloro-4-(1-non-8-enoxyethyl)benzene
SMILESC=CCCCCCCCOC(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClO/c1-3-4-5-6-7-8-9-14-19-15(2)16-10-12-17(18)13-11-16/h3,10-13,15H,1,4-9,14H2,2H3
InChIKeyHMWZLYJVUFKGGT-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.84
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-non-8-enoxyethyl)benzene?
The IUPAC name of 1-chloro-4-(1-non-8-enoxyethyl)benzene (CID 155664436) is 1-chloro-4-(1-non-8-enoxyethyl)benzene.
What is the SMILES notation for 1-chloro-4-(1-non-8-enoxyethyl)benzene?
The canonical SMILES for 1-chloro-4-(1-non-8-enoxyethyl)benzene is C=CCCCCCCCOC(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1-non-8-enoxyethyl)benzene?
The InChIKey is HMWZLYJVUFKGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO/c1-3-4-5-6-7-8-9-14-19-15(2)16-10-12-17(18)13-11-16/h3,10-13,15H,1,4-9,14H2,2H3.
What are the key properties of 1-chloro-4-(1-non-8-enoxyethyl)benzene?
1-chloro-4-(1-non-8-enoxyethyl)benzene has a molecular weight of 280.84 g/mol, XLogP of 5.94, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-non-8-enoxyethyl)benzene is sourced from PubChem (CID 155664436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).