1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene

C15H17FO — CID 143451273

IUPAC1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene
SMILESCCCc1ccc(OC2=CCCC(F)=C2)cc1
InChIInChI=1S/C15H17FO/c1-2-4-12-7-9-14(10-8-12)17-15-6-3-5-13(16)11-15/h6-11H,2-5H2,1H3
InChIKeyUXRBBSIZGXOPNB-UHFFFAOYSA-N
MW232.30 g/mol
LogP4.55
Rot. Bonds4

About 1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene

1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene (PubChem CID 143451273) has the molecular formula C15H17FO and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene.

Molecular Properties

Compound Name1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene
PubChem CID143451273
Molecular FormulaC15H17FO
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene
SMILESCCCc1ccc(OC2=CCCC(F)=C2)cc1
InChIInChI=1S/C15H17FO/c1-2-4-12-7-9-14(10-8-12)17-15-6-3-5-13(16)11-15/h6-11H,2-5H2,1H3
InChIKeyUXRBBSIZGXOPNB-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene;methanediol
CID 143451254
1-cyclobutyloxy-4-propylbenzene
CID 178141621
(4-propylphenyl) hypochlorite
CID 175330115
1-fluoro-4-propylbenzene
CID 2737505
1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene
CID 178142257
ethane;1-methoxy-4-propylbenzene
CID 142085762
4-(4-propylphenoxy)benzonitrile
CID 20986267
1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
CID 63532362
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
1-(bromomethyl)-3-fluoro-2-(4-propylphenoxy)benzene
CID 114068020
1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine
CID 63534051
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene?
The IUPAC name of 1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene (CID 143451273) is 1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene.
What is the SMILES notation for 1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene?
The canonical SMILES for 1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene is CCCc1ccc(OC2=CCCC(F)=C2)cc1.
What is the InChIKey of 1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene?
The InChIKey is UXRBBSIZGXOPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO/c1-2-4-12-7-9-14(10-8-12)17-15-6-3-5-13(16)11-15/h6-11H,2-5H2,1H3.
What are the key properties of 1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene?
1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene has a molecular weight of 232.30 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluorocyclohexa-1,5-dien-1-yl)oxy-4-propylbenzene is sourced from PubChem (CID 143451273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).