(1-chloro-5-ethoxypentyl)benzene

C13H19ClO — CID 64506670

IUPAC(1-chloro-5-ethoxypentyl)benzene
SMILESCCOCCCCC(Cl)c1ccccc1
InChIInChI=1S/C13H19ClO/c1-2-15-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyBNFYLVYLNGOEME-UHFFFAOYSA-N
MW226.75 g/mol
LogP4.17
Rot. Bonds7

About (1-chloro-5-ethoxypentyl)benzene

(1-chloro-5-ethoxypentyl)benzene (PubChem CID 64506670) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is (1-chloro-5-ethoxypentyl)benzene.

Molecular Properties

Compound Name(1-chloro-5-ethoxypentyl)benzene
PubChem CID64506670
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name(1-chloro-5-ethoxypentyl)benzene
SMILESCCOCCCCC(Cl)c1ccccc1
InChIInChI=1S/C13H19ClO/c1-2-15-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyBNFYLVYLNGOEME-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-chloro-7-methyloctyl)benzene
CID 83169221
[(2R)-4-ethoxybutan-2-yl]benzene
CID 67208388
22-chloro-22-phenyldocosane-1,1-diol
CID 139822456
11-chloro-N,N-dimethyl-11-phenylundecan-1-amine
CID 54460837
CID 155756220
CID 155756220
5-chloro-1-ethoxyhexane
CID 64515389
1-(1-chloropentyl)-4-phenylbenzene
CID 63429246
5-ethoxy-N-ethyl-2-phenylpentan-1-amine
CID 65430782
6-ethoxyhexylbenzene
CID 54300935
(1-chloro-5-propan-2-ylsulfonylpentyl)benzene
CID 106732517
7-(2-methoxyethoxy)heptan-3-ylbenzene
CID 59850685
N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine
CID 10381752

Frequently Asked Questions

What is the IUPAC name of (1-chloro-5-ethoxypentyl)benzene?
The IUPAC name of (1-chloro-5-ethoxypentyl)benzene (CID 64506670) is (1-chloro-5-ethoxypentyl)benzene.
What is the SMILES notation for (1-chloro-5-ethoxypentyl)benzene?
The canonical SMILES for (1-chloro-5-ethoxypentyl)benzene is CCOCCCCC(Cl)c1ccccc1.
What is the InChIKey of (1-chloro-5-ethoxypentyl)benzene?
The InChIKey is BNFYLVYLNGOEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-2-15-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3.
What are the key properties of (1-chloro-5-ethoxypentyl)benzene?
(1-chloro-5-ethoxypentyl)benzene has a molecular weight of 226.75 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-5-ethoxypentyl)benzene is sourced from PubChem (CID 64506670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).