[6-(3-chloropropoxy)cyclohexen-1-yl]benzene

C15H19ClO — CID 53495596

IUPAC[6-(3-chloropropoxy)cyclohexen-1-yl]benzene
SMILESClCCCOC1CCCC=C1c1ccccc1
InChIInChI=1S/C15H19ClO/c16-11-6-12-17-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-3,7-9,15H,4-6,10-12H2
InChIKeyNLLGJRLBZZEFPH-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.27
Rot. Bonds5

About [6-(3-chloropropoxy)cyclohexen-1-yl]benzene

[6-(3-chloropropoxy)cyclohexen-1-yl]benzene (PubChem CID 53495596) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is [6-(3-chloropropoxy)cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name[6-(3-chloropropoxy)cyclohexen-1-yl]benzene
PubChem CID53495596
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name[6-(3-chloropropoxy)cyclohexen-1-yl]benzene
SMILESClCCCOC1CCCC=C1c1ccccc1
InChIInChI=1S/C15H19ClO/c16-11-6-12-17-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-3,7-9,15H,4-6,10-12H2
InChIKeyNLLGJRLBZZEFPH-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.27
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

(6-ethoxycyclohexen-1-yl)benzene
CID 13170090
(6-fluorocyclohexen-1-yl)benzene
CID 102284062
carbanide;(2-phenylcyclohex-2-en-1-yl)methanol;yttrium
CID 159640672
[6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene
CID 162417225
(1S,2R)-3-phenylcyclohex-3-ene-1,2-diol
CID 10535684
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
1-(2-cyclobutyloxyethoxy)-2-phenylbenzene
CID 152523562
(6-diphenylphosphorylcyclohexen-1-yl)benzene
CID 177415752
7-(3-chloropropoxy)-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 76845658
1-chloro-3-(3-chloropropoxy)propane;fluorobenzene
CID 73011380
[1-(3-chloropropoxy)-6-methyl-5-phenylcyclohexa-2,4-dien-1-yl]methanol
CID 175341325

Frequently Asked Questions

What is the IUPAC name of [6-(3-chloropropoxy)cyclohexen-1-yl]benzene?
The IUPAC name of [6-(3-chloropropoxy)cyclohexen-1-yl]benzene (CID 53495596) is [6-(3-chloropropoxy)cyclohexen-1-yl]benzene.
What is the SMILES notation for [6-(3-chloropropoxy)cyclohexen-1-yl]benzene?
The canonical SMILES for [6-(3-chloropropoxy)cyclohexen-1-yl]benzene is ClCCCOC1CCCC=C1c1ccccc1.
What is the InChIKey of [6-(3-chloropropoxy)cyclohexen-1-yl]benzene?
The InChIKey is NLLGJRLBZZEFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c16-11-6-12-17-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-3,7-9,15H,4-6,10-12H2.
What are the key properties of [6-(3-chloropropoxy)cyclohexen-1-yl]benzene?
[6-(3-chloropropoxy)cyclohexen-1-yl]benzene has a molecular weight of 250.77 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chloropropoxy)cyclohexen-1-yl]benzene is sourced from PubChem (CID 53495596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).