2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene

C22H18ClF — CID 139883628

IUPAC2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene
SMILESCCc1ccc2c(c1)CCc1cc(-c3ccc(Cl)cc3)c(F)cc1-2
InChIInChI=1S/C22H18ClF/c1-2-14-3-10-19-16(11-14)4-5-17-12-21(22(24)13-20(17)19)15-6-8-18(23)9-7-15/h3,6-13H,2,4-5H2,1H3
InChIKeyPUOOUKKEPXQFOP-UHFFFAOYSA-N
MW336.84 g/mol
LogP6.47
Rot. Bonds2

About 2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene

2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene (PubChem CID 139883628) has the molecular formula C22H18ClF and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene
PubChem CID139883628
Molecular FormulaC22H18ClF
Molecular Weight336.84 g/mol
Exact Mass336.11
IUPAC Name2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene
SMILESCCc1ccc2c(c1)CCc1cc(-c3ccc(Cl)cc3)c(F)cc1-2
InChIInChI=1S/C22H18ClF/c1-2-14-3-10-19-16(11-14)4-5-17-12-21(22(24)13-20(17)19)15-6-8-18(23)9-7-15/h3,6-13H,2,4-5H2,1H3
InChIKeyPUOOUKKEPXQFOP-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.84
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene
CID 139883454
2-(4-chlorophenyl)-7-ethyl-9,10-dihydrophenanthrene
CID 139883299
2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene
CID 22044997
7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene
CID 139883423
2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene
CID 139883517
2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene
CID 139884027
7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884381
2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene
CID 139884423
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene
CID 139883642
2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene
CID 22045499
3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 22045482
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene?
The IUPAC name of 2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene (CID 139883628) is 2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene.
What is the SMILES notation for 2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene?
The canonical SMILES for 2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene is CCc1ccc2c(c1)CCc1cc(-c3ccc(Cl)cc3)c(F)cc1-2.
What is the InChIKey of 2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene?
The InChIKey is PUOOUKKEPXQFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF/c1-2-14-3-10-19-16(11-14)4-5-17-12-21(22(24)13-20(17)19)15-6-8-18(23)9-7-15/h3,6-13H,2,4-5H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene?
2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene has a molecular weight of 336.84 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene is sourced from PubChem (CID 139883628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).