1-chloro-2-(5-ethoxypentyl)benzene

C13H19ClO — CID 57071583

IUPAC1-chloro-2-(5-ethoxypentyl)benzene
SMILESCCOCCCCCc1ccccc1Cl
InChIInChI=1S/C13H19ClO/c1-2-15-11-7-3-4-8-12-9-5-6-10-13(12)14/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyPESZCPKESDFVNN-UHFFFAOYSA-N
MW226.75 g/mol
LogP4.09
Rot. Bonds7

About 1-chloro-2-(5-ethoxypentyl)benzene

1-chloro-2-(5-ethoxypentyl)benzene (PubChem CID 57071583) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-chloro-2-(5-ethoxypentyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(5-ethoxypentyl)benzene
PubChem CID57071583
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name1-chloro-2-(5-ethoxypentyl)benzene
SMILESCCOCCCCCc1ccccc1Cl
InChIInChI=1S/C13H19ClO/c1-2-15-11-7-3-4-8-12-9-5-6-10-13(12)14/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyPESZCPKESDFVNN-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-2-(5-ethoxypentyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-butoxyethyl)-2-chlorobenzene
CID 91693275
1-(3-ethoxypropyl)-2-ethylbenzene
CID 143469114
6-ethoxyhexylbenzene
CID 54300935
azane;1-butyl-2-chlorobenzene
CID 19011342
1-chloro-2-(13-chlorotridecyl)benzene
CID 141077015
1-(8-bromooctyl)-2-chlorobenzene
CID 18786455
1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene
CID 142632272
1-[(2-chlorophenyl)methyl]-3-(3-ethoxypropyl)thiourea
CID 113218362
1,2-dichlorobenzene;ethoxyethane
CID 68845412
1-chloro-2-(3-phenoxypropyl)benzene
CID 174487660
3-(5-heptoxypentyl)benzene-1,2-diol
CID 154435375
3-(13-heptoxytridecyl)benzene-1,2-diol
CID 154435835

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(5-ethoxypentyl)benzene?
The IUPAC name of 1-chloro-2-(5-ethoxypentyl)benzene (CID 57071583) is 1-chloro-2-(5-ethoxypentyl)benzene.
What is the SMILES notation for 1-chloro-2-(5-ethoxypentyl)benzene?
The canonical SMILES for 1-chloro-2-(5-ethoxypentyl)benzene is CCOCCCCCc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(5-ethoxypentyl)benzene?
The InChIKey is PESZCPKESDFVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-2-15-11-7-3-4-8-12-9-5-6-10-13(12)14/h5-6,9-10H,2-4,7-8,11H2,1H3.
What are the key properties of 1-chloro-2-(5-ethoxypentyl)benzene?
1-chloro-2-(5-ethoxypentyl)benzene has a molecular weight of 226.75 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(5-ethoxypentyl)benzene is sourced from PubChem (CID 57071583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).