4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid

C85H99F3O19 — CID 157470042

IUPAC4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid
SMILESCOC(=O)CCc1ccc(OC(CCC2=CCCCC2)C(=O)O)cc1.COC(=O)CCc1ccccc1OC(CCC1=CCCCC1)C(=O)O.O=C(O)C(CCC1=CCCCC1)Oc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1.O=C(c1ccc(OC(CCC2=CCCCC2)C(=O)O)cc1)c1ccco1
InChIInChI=1S/C24H25F3O4.C21H22O5.2C20H26O5/c25-24(26,27)19-9-6-18(7-10-19)16-30-20-11-13-21(14-12-20)31-22(23(28)29)15-8-17-4-2-1-3-5-17;22-20(18-7-4-14-25-18)16-9-11-17(12-10-16)26-19(21(23)24)13-8-15-5-2-1-3-6-15;1-24-19(21)14-12-16-9-5-6-10-17(16)25-18(20(22)23)13-11-15-7-3-2-4-8-15;1-24-19(21)14-10-16-7-11-17(12-8-16)25-18(20(22)23)13-9-15-5-3-2-4-6-15/h4,6-7,9-14,22H,1-3,5,8,15-16H2,(H,28,29);4-5,7,9-12,14,19H,1-3,6,8,13H2,(H,23,24);5-7,9-10,18H,2-4,8,11-14H2,1H3,(H,22,23);5,7-8,11-12,18H,2-4,6,9-10,13-14H2,1H3,(H,22,23)
InChIKeyBUXRYNQYNVNESU-UHFFFAOYSA-N
MW1481.70 g/mol
LogP18.83
Rot. Bonds35

About 4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid

4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid (PubChem CID 157470042) has the molecular formula C85H99F3O19 and a molecular weight of 1481.70 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid
PubChem CID157470042
Molecular FormulaC85H99F3O19
Molecular Weight1481.70 g/mol
Exact Mass1480.67
IUPAC Name4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid
SMILESCOC(=O)CCc1ccc(OC(CCC2=CCCCC2)C(=O)O)cc1.COC(=O)CCc1ccccc1OC(CCC1=CCCCC1)C(=O)O.O=C(O)C(CCC1=CCCCC1)Oc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1.O=C(c1ccc(OC(CCC2=CCCCC2)C(=O)O)cc1)c1ccco1
InChIInChI=1S/C24H25F3O4.C21H22O5.2C20H26O5/c25-24(26,27)19-9-6-18(7-10-19)16-30-20-11-13-21(14-12-20)31-22(23(28)29)15-8-17-4-2-1-3-5-17;22-20(18-7-4-14-25-18)16-9-11-17(12-10-16)26-19(21(23)24)13-8-15-5-2-1-3-6-15;1-24-19(21)14-12-16-9-5-6-10-17(16)25-18(20(22)23)13-11-15-7-3-2-4-8-15;1-24-19(21)14-10-16-7-11-17(12-8-16)25-18(20(22)23)13-9-15-5-3-2-4-6-15/h4,6-7,9-14,22H,1-3,5,8,15-16H2,(H,28,29);4-5,7,9-12,14,19H,1-3,6,8,13H2,(H,23,24);5-7,9-10,18H,2-4,8,11-14H2,1H3,(H,22,23);5,7-8,11-12,18H,2-4,6,9-10,13-14H2,1H3,(H,22,23)
InChIKeyBUXRYNQYNVNESU-UHFFFAOYSA-N
XLogP18.83
TPSA278.16 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds35
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001481.70
LogP ≤ 518.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid?
The IUPAC name of 4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid (CID 157470042) is 4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid.
What is the SMILES notation for 4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid?
The canonical SMILES for 4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid is COC(=O)CCc1ccc(OC(CCC2=CCCCC2)C(=O)O)cc1.COC(=O)CCc1ccccc1OC(CCC1=CCCCC1)C(=O)O.O=C(O)C(CCC1=CCCCC1)Oc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1.O=C(c1ccc(OC(CCC2=CCCCC2)C(=O)O)cc1)c1ccco1.
What is the InChIKey of 4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid?
The InChIKey is BUXRYNQYNVNESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3O4.C21H22O5.2C20H26O5/c25-24(26,27)19-9-6-18(7-10-19)16-30-20-11-13-21(14-12-20)31-22(23(28)29)15-8-17-4-2-1-3-5-17;22-20(18-7-4-14-25-18)16-9-11-17(12-10-16)26-19(21(23)24)13-8-15-5-2-1-3-6-15;1-24-19(21)14-12-16-9-5-6-10-17(16)25-18(20(22)23)13-11-15-7-3-2-4-8-15;1-24-19(21)14-10-16-7-11-17(12-8-16)25-18(20(22)23)13-9-15-5-3-2-4-6-15/h4,6-7,9-14,22H,1-3,5,8,15-16H2,(H,28,29);4-5,7,9-12,14,19H,1-3,6,8,13H2,(H,23,24);5-7,9-10,18H,2-4,8,11-14H2,1H3,(H,22,23);5,7-8,11-12,18H,2-4,6,9-10,13-14H2,1H3,(H,22,23).
What are the key properties of 4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid?
4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid has a molecular weight of 1481.70 g/mol, XLogP of 18.83, 35 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-2-[4-(furan-2-carbonyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[2-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoic acid;4-(cyclohexen-1-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoic acid is sourced from PubChem (CID 157470042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).