1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene

C23H28F2O — CID 18681376

IUPAC1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1
InChIInChI=1S/C23H28F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h10-17H,3-9H2,1-2H3
InChIKeyIBFAIOMGVHPWRQ-UHFFFAOYSA-N
MW358.47 g/mol
LogP7.10
Rot. Bonds6

About 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene

1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 18681376) has the molecular formula C23H28F2O and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
PubChem CID18681376
Molecular FormulaC23H28F2O
Molecular Weight358.47 g/mol
Exact Mass358.21
IUPAC Name1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1
InChIInChI=1S/C23H28F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h10-17H,3-9H2,1-2H3
InChIKeyIBFAIOMGVHPWRQ-UHFFFAOYSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene (CID 18681376) is 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene is CCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is IBFAIOMGVHPWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h10-17H,3-9H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene?
1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 358.47 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 18681376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).