2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene

C15H17FO — CID 135217148

IUPAC2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene
SMILESCCc1cc(OC2C=CC(C)=CC2)ccc1F
InChIInChI=1S/C15H17FO/c1-3-12-10-14(8-9-15(12)16)17-13-6-4-11(2)5-7-13/h4-6,8-10,13H,3,7H2,1-2H3
InChIKeyPZUXMOLLORPKHE-UHFFFAOYSA-N
MW232.30 g/mol
LogP4.04
Rot. Bonds3

About 2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene

2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene (PubChem CID 135217148) has the molecular formula C15H17FO and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene.

Molecular Properties

Compound Name2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene
PubChem CID135217148
Molecular FormulaC15H17FO
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene
SMILESCCc1cc(OC2C=CC(C)=CC2)ccc1F
InChIInChI=1S/C15H17FO/c1-3-12-10-14(8-9-15(12)16)17-13-6-4-11(2)5-7-13/h4-6,8-10,13H,3,7H2,1-2H3
InChIKeyPZUXMOLLORPKHE-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene?
The IUPAC name of 2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene (CID 135217148) is 2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene.
What is the SMILES notation for 2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene?
The canonical SMILES for 2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene is CCc1cc(OC2C=CC(C)=CC2)ccc1F.
What is the InChIKey of 2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene?
The InChIKey is PZUXMOLLORPKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO/c1-3-12-10-14(8-9-15(12)16)17-13-6-4-11(2)5-7-13/h4-6,8-10,13H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene?
2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene has a molecular weight of 232.30 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)oxybenzene is sourced from PubChem (CID 135217148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).