2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene

C23H19ClF2 — CID 22045499

IUPAC2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene
SMILESCCCc1ccc2c(c1)CCc1c-2cc(F)c(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C23H19ClF2/c1-2-3-14-4-10-18-16(12-14)7-11-19-20(18)13-21(25)22(23(19)26)15-5-8-17(24)9-6-15/h4-6,8-10,12-13H,2-3,7,11H2,1H3
InChIKeySILFKGKQKIRQHO-UHFFFAOYSA-N
MW368.85 g/mol
LogP7.00
Rot. Bonds3

About 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene

2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene (PubChem CID 22045499) has the molecular formula C23H19ClF2 and a molecular weight of 368.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene
PubChem CID22045499
Molecular FormulaC23H19ClF2
Molecular Weight368.85 g/mol
Exact Mass368.11
IUPAC Name2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene
SMILESCCCc1ccc2c(c1)CCc1c-2cc(F)c(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C23H19ClF2/c1-2-3-14-4-10-18-16(12-14)7-11-19-20(18)13-21(25)22(23(19)26)15-5-8-17(24)9-6-15/h4-6,8-10,12-13H,2-3,7,11H2,1H3
InChIKeySILFKGKQKIRQHO-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.85
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(7-ethyl-1,3-difluoro-9,10-dihydrophenanthren-2-yl)benzonitrile
CID 22045451
7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene
CID 139883454
2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene
CID 22044997
2,7-dipropyl-9,10-dihydrophenanthrene
CID 159085021
2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene
CID 139883628
2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene
CID 139884423
7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139883511
2-(4-chlorophenyl)-7-ethyl-9,10-dihydrophenanthrene
CID 139883299
1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884348
1-fluoro-7-hexyl-2-(3,4,5-trifluorophenyl)-9,10-dihydrophenanthrene
CID 139883671
7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene
CID 139883423
1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene
CID 139883768

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene?
The IUPAC name of 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene (CID 22045499) is 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene.
What is the SMILES notation for 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene?
The canonical SMILES for 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene is CCCc1ccc2c(c1)CCc1c-2cc(F)c(-c2ccc(Cl)cc2)c1F.
What is the InChIKey of 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene?
The InChIKey is SILFKGKQKIRQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2/c1-2-3-14-4-10-18-16(12-14)7-11-19-20(18)13-21(25)22(23(19)26)15-5-8-17(24)9-6-15/h4-6,8-10,12-13H,2-3,7,11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene?
2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene has a molecular weight of 368.85 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene is sourced from PubChem (CID 22045499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).