methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate

C27H23FO3 — CID 10287758

IUPACmethyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2ccccc2F)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C27H23FO3/c1-30-27(29)15-11-19-10-14-26(31-18-23-8-4-5-9-25(23)28)24(16-19)22-13-12-20-6-2-3-7-21(20)17-22/h2-10,12-14,16-17H,11,15,18H2,1H3
InChIKeyRKUZHOMXPZOWKM-UHFFFAOYSA-N
MW414.48 g/mol
LogP6.33
Rot. Bonds7

About methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate

methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate (PubChem CID 10287758) has the molecular formula C27H23FO3 and a molecular weight of 414.48 g/mol. Its IUPAC name is methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate
PubChem CID10287758
Molecular FormulaC27H23FO3
Molecular Weight414.48 g/mol
Exact Mass414.16
IUPAC Namemethyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2ccccc2F)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C27H23FO3/c1-30-27(29)15-11-19-10-14-26(31-18-23-8-4-5-9-25(23)28)24(16-19)22-13-12-20-6-2-3-7-21(20)17-22/h2-10,12-14,16-17H,11,15,18H2,1H3
InChIKeyRKUZHOMXPZOWKM-UHFFFAOYSA-N
XLogP6.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-[2-(N-methylsulfonylanilino)ethoxy]-3-naphthalen-2-ylphenyl]propanoate
CID 68741250
methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate
CID 22559002
methyl 3-(3-chloro-4-hydroxy-5-naphthalen-2-ylphenyl)propanoate
CID 22558879
3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid
CID 22559255
3-[4-[2-(2-fluorophenyl)ethoxy]-3-(1H-indol-5-yl)phenyl]propanoic acid
CID 10126771
methyl 3-[3-amino-4-[2-(4-methylphenyl)ethoxy]-5-naphthalen-2-ylphenyl]propanoate
CID 22558773
methyl 3-[4-(cyclopentylmethoxy)-3-[6-(methylamino)naphthalen-2-yl]phenyl]propanoate
CID 22559030
3-[4-[2-[(2-ethylphenyl)carbamothioylamino]ethoxy]-3-naphthalen-2-ylphenyl]propanoic acid
CID 87890024
3-[3-(1H-indol-5-yl)-4-[(2-methylphenyl)methoxy]phenyl]propanoic acid
CID 10237427
3-[3-(1-ethylindazol-5-yl)-4-[2-(2-fluorophenyl)ethoxy]phenyl]propanoic acid
CID 22558905
methyl 3-[4-[2-(4-methylphenyl)ethoxy]-3-naphthalen-2-yl-5-nitrophenyl]propanoate
CID 22558791
methyl 3-[4-[2-(2-fluorophenyl)ethoxy]-3-(1H-indazol-5-yl)phenyl]-3-[3-[4-[2-(2-fluorophenyl)ethoxy]-3-(1-methylindazol-5-yl)phenyl]propanoyloxy]propanoate
CID 91592350

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate?
The IUPAC name of methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate (CID 10287758) is methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate?
The canonical SMILES for methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate is COC(=O)CCc1ccc(OCc2ccccc2F)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate?
The InChIKey is RKUZHOMXPZOWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FO3/c1-30-27(29)15-11-19-10-14-26(31-18-23-8-4-5-9-25(23)28)24(16-19)22-13-12-20-6-2-3-7-21(20)17-22/h2-10,12-14,16-17H,11,15,18H2,1H3.
What are the key properties of methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate?
methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate has a molecular weight of 414.48 g/mol, XLogP of 6.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate is sourced from PubChem (CID 10287758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).