1-butyl-4-(4-chlorobutoxy)benzene

C14H21ClO — CID 115492522

IUPAC1-butyl-4-(4-chlorobutoxy)benzene
SMILESCCCCc1ccc(OCCCCCl)cc1
InChIInChI=1S/C14H21ClO/c1-2-3-6-13-7-9-14(10-8-13)16-12-5-4-11-15/h7-10H,2-6,11-12H2,1H3
InChIKeyAYKCIGSCTAMOLJ-UHFFFAOYSA-N
MW240.77 g/mol
LogP4.43
Rot. Bonds8

About 1-butyl-4-(4-chlorobutoxy)benzene

1-butyl-4-(4-chlorobutoxy)benzene (PubChem CID 115492522) has the molecular formula C14H21ClO and a molecular weight of 240.77 g/mol. Its IUPAC name is 1-butyl-4-(4-chlorobutoxy)benzene.

Molecular Properties

Compound Name1-butyl-4-(4-chlorobutoxy)benzene
PubChem CID115492522
Molecular FormulaC14H21ClO
Molecular Weight240.77 g/mol
Exact Mass240.13
IUPAC Name1-butyl-4-(4-chlorobutoxy)benzene
SMILESCCCCc1ccc(OCCCCCl)cc1
InChIInChI=1S/C14H21ClO/c1-2-3-6-13-7-9-14(10-8-13)16-12-5-4-11-15/h7-10H,2-6,11-12H2,1H3
InChIKeyAYKCIGSCTAMOLJ-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.77
LogP ≤ 54.43
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-butoxy-4-[4-(3-chloropropyl)phenyl]benzene
CID 19789115
1-hexoxy-4-pentylbenzene
CID 54277450
1-(4-bromobutoxy)-4-butylbenzene
CID 67807255
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
1-nonoxy-4-propylbenzene
CID 118632119
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
1-(chloromethyl)-4-octadecoxybenzene
CID 11463563
6-(4-butylphenoxy)hexane-1-sulfonyl chloride
CID 115493524
3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
6-(4-butylphenoxy)-N-ethylhexan-1-amine
CID 115493364

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-chlorobutoxy)benzene?
The IUPAC name of 1-butyl-4-(4-chlorobutoxy)benzene (CID 115492522) is 1-butyl-4-(4-chlorobutoxy)benzene.
What is the SMILES notation for 1-butyl-4-(4-chlorobutoxy)benzene?
The canonical SMILES for 1-butyl-4-(4-chlorobutoxy)benzene is CCCCc1ccc(OCCCCCl)cc1.
What is the InChIKey of 1-butyl-4-(4-chlorobutoxy)benzene?
The InChIKey is AYKCIGSCTAMOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO/c1-2-3-6-13-7-9-14(10-8-13)16-12-5-4-11-15/h7-10H,2-6,11-12H2,1H3.
What are the key properties of 1-butyl-4-(4-chlorobutoxy)benzene?
1-butyl-4-(4-chlorobutoxy)benzene has a molecular weight of 240.77 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-chlorobutoxy)benzene is sourced from PubChem (CID 115492522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).