2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene

C23H26ClFO — CID 59257225

IUPAC2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
SMILESCCCC1CC=C(c2ccc(-c3ccc(OCC)c(Cl)c3F)cc2)CC1
InChIInChI=1S/C23H26ClFO/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)22(24)23(20)25/h8,10-16H,3-7,9H2,1-2H3
InChIKeyMJZHUYAYTZHVMC-UHFFFAOYSA-N
MW372.91 g/mol
LogP7.53
Rot. Bonds6

About 2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene

2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene (PubChem CID 59257225) has the molecular formula C23H26ClFO and a molecular weight of 372.91 g/mol. Its IUPAC name is 2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene.

Molecular Properties

Compound Name2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
PubChem CID59257225
Molecular FormulaC23H26ClFO
Molecular Weight372.91 g/mol
Exact Mass372.17
IUPAC Name2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
SMILESCCCC1CC=C(c2ccc(-c3ccc(OCC)c(Cl)c3F)cc2)CC1
InChIInChI=1S/C23H26ClFO/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)22(24)23(20)25/h8,10-16H,3-7,9H2,1-2H3
InChIKeyMJZHUYAYTZHVMC-UHFFFAOYSA-N
XLogP7.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.91
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-chloro-4-ethoxy-2-fluorophenyl)-2-(4-propylcyclohexen-1-yl)pyridine
CID 59257202
2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 142297541
1-ethoxy-2,3-difluoro-4-[4-[2-fluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]benzene
CID 59609819
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexen-1-yl)phenyl]phenyl]-4-propoxybenzene
CID 67731464
3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene
CID 59257307
3-chloro-2-fluoro-1-(4-methoxyphenyl)-4-(4-pentylcyclohexen-1-yl)benzene
CID 59257432
2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene
CID 59257313
1-butoxy-2-chloro-3-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 59256978
1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 168776499
1-ethoxy-2,3-difluoro-4-[4-[2-fluoro-4-[(E)-2-(4-propylcyclohexen-1-yl)ethenyl]phenyl]phenyl]benzene
CID 67740444
1-[4-(2-chloro-4-ethoxy-3-fluorophenyl)phenyl]-4-(4-ethenylcyclohexen-1-yl)-2,3-difluorobenzene
CID 59257281
1-ethoxy-4-[4-[3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]propyl]-3-fluorophenyl]-2,3-difluorobenzene
CID 122643434

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene?
The IUPAC name of 2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene (CID 59257225) is 2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene.
What is the SMILES notation for 2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene?
The canonical SMILES for 2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene is CCCC1CC=C(c2ccc(-c3ccc(OCC)c(Cl)c3F)cc2)CC1.
What is the InChIKey of 2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene?
The InChIKey is MJZHUYAYTZHVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFO/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)22(24)23(20)25/h8,10-16H,3-7,9H2,1-2H3.
What are the key properties of 2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene?
2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene has a molecular weight of 372.91 g/mol, XLogP of 7.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene is sourced from PubChem (CID 59257225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).