methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate

C19H14F2O2 — CID 58553228

IUPACmethyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(-c3c(F)ccc(F)c3C)c2c1
InChIInChI=1S/C19H14F2O2/c1-11-16(20)8-9-17(21)18(11)14-5-3-4-12-6-7-13(10-15(12)14)19(22)23-2/h3-10H,1-2H3
InChIKeyZJQDWADKQWIPGG-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.88
Rot. Bonds2

About methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate

methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate (PubChem CID 58553228) has the molecular formula C19H14F2O2 and a molecular weight of 312.32 g/mol. Its IUPAC name is methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate
PubChem CID58553228
Molecular FormulaC19H14F2O2
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Namemethyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(-c3c(F)ccc(F)c3C)c2c1
InChIInChI=1S/C19H14F2O2/c1-11-16(20)8-9-17(21)18(11)14-5-3-4-12-6-7-13(10-15(12)14)19(22)23-2/h3-10H,1-2H3
InChIKeyZJQDWADKQWIPGG-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate
CID 58553526
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
methyl 8-(3-chloro-2-fluorophenyl)naphthalene-2-carboxylate
CID 58553414
methyl 8-(2-fluoro-3-methoxyphenyl)naphthalene-2-carboxylate
CID 58553524
methyl 4-fluoro-3-naphthalen-1-ylbenzoate
CID 75488354
methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate
CID 70227715
methyl 8-(5-chloro-2-fluoro-3-pyridinyl)naphthalene-2-carboxylate
CID 58553365
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849
8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553519
methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate
CID 58553628
methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate
CID 58553441
methyl 8-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxylate
CID 58553629

Frequently Asked Questions

What is the IUPAC name of methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate?
The IUPAC name of methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate (CID 58553228) is methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate is COC(=O)c1ccc2cccc(-c3c(F)ccc(F)c3C)c2c1.
What is the InChIKey of methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate?
The InChIKey is ZJQDWADKQWIPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2O2/c1-11-16(20)8-9-17(21)18(11)14-5-3-4-12-6-7-13(10-15(12)14)19(22)23-2/h3-10H,1-2H3.
What are the key properties of methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate?
methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate has a molecular weight of 312.32 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate is sourced from PubChem (CID 58553228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).