4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid

C28H29FO7 — CID 176894961

IUPAC4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid
SMILESCOCC(OC(=O)C1CCC(Oc2cc(C(=O)O)c(OC)cc2F)CC1)c1cccc2ccccc12
InChIInChI=1S/C28H29FO7/c1-33-16-26(21-9-5-7-17-6-3-4-8-20(17)21)36-28(32)18-10-12-19(13-11-18)35-25-14-22(27(30)31)24(34-2)15-23(25)29/h3-9,14-15,18-19,26H,10-13,16H2,1-2H3,(H,30,31)
InChIKeyQOPWTDXFDCSKRR-UHFFFAOYSA-N
MW496.53 g/mol
LogP5.55
Rot. Bonds9

About 4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid

4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid (PubChem CID 176894961) has the molecular formula C28H29FO7 and a molecular weight of 496.53 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid.

Molecular Properties

Compound Name4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid
PubChem CID176894961
Molecular FormulaC28H29FO7
Molecular Weight496.53 g/mol
Exact Mass496.19
IUPAC Name4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid
SMILESCOCC(OC(=O)C1CCC(Oc2cc(C(=O)O)c(OC)cc2F)CC1)c1cccc2ccccc12
InChIInChI=1S/C28H29FO7/c1-33-16-26(21-9-5-7-17-6-3-4-8-20(17)21)36-28(32)18-10-12-19(13-11-18)35-25-14-22(27(30)31)24(34-2)15-23(25)29/h3-9,14-15,18-19,26H,10-13,16H2,1-2H3,(H,30,31)
InChIKeyQOPWTDXFDCSKRR-UHFFFAOYSA-N
XLogP5.55
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid 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

naphthalen-1-ylmethyl 4-[2-fluoro-4-methoxy-5-(methylcarbamoyl)phenoxy]cyclohexane-1-carboxylate
CID 167110668
2-methoxy-4-methyl-5-[4-(naphthalen-1-ylmethoxycarbonyl)cyclohexyl]oxybenzoic acid
CID 167110785
4-fluoro-2-methoxy-5-[4-methyl-4-(naphthalen-1-ylmethoxycarbonyl)cyclohexyl]oxybenzoic acid
CID 163395808
methyl 2-(difluoromethoxy)-4-fluoro-5-[4-(naphthalen-1-ylmethoxycarbonyl)cyclohexyl]oxybenzoate
CID 167110724
benzyl 4-fluoro-2-methoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]oxybenzoate
CID 163395228
4-fluoro-3-[4-(naphthalen-1-ylmethoxycarbonyl)cyclohexyl]oxybenzoic acid
CID 167110774
5-[4-[(Z)-N-aminocarbamohydrazonoyl]cyclohexyl]oxy-4-fluoro-2-methoxybenzoic acid
CID 163395366
4-cyano-2-fluoro-5-[4-(naphthalen-1-ylmethoxycarbonyl)cyclohexyl]oxybenzoic acid
CID 167111133
4-fluoro-5-(4-formyl-4-hydroxycyclohexyl)oxy-2-methoxybenzoic acid
CID 170365424
tert-butyl 4-[2-fluoro-4-methoxy-5-[(2-phenylmethoxycarbonylcyclopentyl)carbamoyl]phenoxy]cyclohexane-1-carboxylate
CID 167110718
2-[[4-cyano-2-methoxy-5-[4-(naphthalen-1-ylmethoxycarbonyl)cyclohexyl]oxybenzoyl]amino]-4-methylbenzoic acid
CID 167111094
5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
CID 22145848

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid?
The IUPAC name of 4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid (CID 176894961) is 4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid.
What is the SMILES notation for 4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid?
The canonical SMILES for 4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid is COCC(OC(=O)C1CCC(Oc2cc(C(=O)O)c(OC)cc2F)CC1)c1cccc2ccccc12.
What is the InChIKey of 4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid?
The InChIKey is QOPWTDXFDCSKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FO7/c1-33-16-26(21-9-5-7-17-6-3-4-8-20(17)21)36-28(32)18-10-12-19(13-11-18)35-25-14-22(27(30)31)24(34-2)15-23(25)29/h3-9,14-15,18-19,26H,10-13,16H2,1-2H3,(H,30,31).
What are the key properties of 4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid?
4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid has a molecular weight of 496.53 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-5-[4-(2-methoxy-1-naphthalen-1-ylethoxy)carbonylcyclohexyl]oxybenzoic acid is sourced from PubChem (CID 176894961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).