1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene

C24H26F2O — CID 174249952

IUPAC1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene
SMILESCCc1ccc(CCC2(COC(F)F)C=CC(c3ccccc3)=CC2)cc1
InChIInChI=1S/C24H26F2O/c1-2-19-8-10-20(11-9-19)12-15-24(18-27-23(25)26)16-13-22(14-17-24)21-6-4-3-5-7-21/h3-11,13-14,16,23H,2,12,15,17-18H2,1H3
InChIKeyLEAHPNLTPFZQAS-UHFFFAOYSA-N
MW368.47 g/mol
LogP6.45
Rot. Bonds8

About 1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene

1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene (PubChem CID 174249952) has the molecular formula C24H26F2O and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene
PubChem CID174249952
Molecular FormulaC24H26F2O
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene
SMILESCCc1ccc(CCC2(COC(F)F)C=CC(c3ccccc3)=CC2)cc1
InChIInChI=1S/C24H26F2O/c1-2-19-8-10-20(11-9-19)12-15-24(18-27-23(25)26)16-13-22(14-17-24)21-6-4-3-5-7-21/h3-11,13-14,16,23H,2,12,15,17-18H2,1H3
InChIKeyLEAHPNLTPFZQAS-UHFFFAOYSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene?
The IUPAC name of 1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene (CID 174249952) is 1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene.
What is the SMILES notation for 1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene?
The canonical SMILES for 1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene is CCc1ccc(CCC2(COC(F)F)C=CC(c3ccccc3)=CC2)cc1.
What is the InChIKey of 1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene?
The InChIKey is LEAHPNLTPFZQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2O/c1-2-19-8-10-20(11-9-19)12-15-24(18-27-23(25)26)16-13-22(14-17-24)21-6-4-3-5-7-21/h3-11,13-14,16,23H,2,12,15,17-18H2,1H3.
What are the key properties of 1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene?
1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene has a molecular weight of 368.47 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(difluoromethoxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]ethyl]-4-ethylbenzene is sourced from PubChem (CID 174249952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).