1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene

C30H28F2O — CID 141324815

IUPAC1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene
SMILESFc1ccc(CCC(OC(CCc2ccc(F)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H28F2O/c31-27-17-11-23(12-18-27)15-21-29(25-7-3-1-4-8-25)33-30(26-9-5-2-6-10-26)22-16-24-13-19-28(32)20-14-24/h1-14,17-20,29-30H,15-16,21-22H2
InChIKeyAXGIRCKIDRSCPV-UHFFFAOYSA-N
MW442.55 g/mol
LogP8.03
Rot. Bonds10

About 1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene

1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene (PubChem CID 141324815) has the molecular formula C30H28F2O and a molecular weight of 442.55 g/mol. Its IUPAC name is 1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene
PubChem CID141324815
Molecular FormulaC30H28F2O
Molecular Weight442.55 g/mol
Exact Mass442.21
IUPAC Name1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene
SMILESFc1ccc(CCC(OC(CCc2ccc(F)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H28F2O/c31-27-17-11-23(12-18-27)15-21-29(25-7-3-1-4-8-25)33-30(26-9-5-2-6-10-26)22-16-24-13-19-28(32)20-14-24/h1-14,17-20,29-30H,15-16,21-22H2
InChIKeyAXGIRCKIDRSCPV-UHFFFAOYSA-N
XLogP8.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.55
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(4-fluorophenyl)propyl nitrate
CID 174507508
1-[3-chloro-3-[1-chloro-3-(4-fluorophenyl)propoxy]propyl]-4-fluorobenzene
CID 139900232
N-(1,3-diphenylpropoxy)-N-methylmethanamine
CID 13095117
1,3-diphenylpropyl carbamate
CID 154100927
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene
CID 134992008
[(1S)-1,3-diphenylpropoxy]methanethioic S-acid
CID 146180519
1-fluoro-4-[2-iodo-1-(1-phenylethoxy)ethyl]benzene
CID 114772880
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
[(2R)-4-(4-fluorophenyl)butan-2-yl]azanium
CID 7449312
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
1-fluoro-4-(3-iodobutyl)benzene
CID 162353142

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene?
The IUPAC name of 1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene (CID 141324815) is 1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene.
What is the SMILES notation for 1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene?
The canonical SMILES for 1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene is Fc1ccc(CCC(OC(CCc2ccc(F)cc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene?
The InChIKey is AXGIRCKIDRSCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2O/c31-27-17-11-23(12-18-27)15-21-29(25-7-3-1-4-8-25)33-30(26-9-5-2-6-10-26)22-16-24-13-19-28(32)20-14-24/h1-14,17-20,29-30H,15-16,21-22H2.
What are the key properties of 1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene?
1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene has a molecular weight of 442.55 g/mol, XLogP of 8.03, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene is sourced from PubChem (CID 141324815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).