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

C19H14F2O3 — CID 58553526

IUPACmethyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(-c3c(OC)ccc(F)c3F)c2c1
InChIInChI=1S/C19H14F2O3/c1-23-16-9-8-15(20)18(21)17(16)13-5-3-4-11-6-7-12(10-14(11)13)19(22)24-2/h3-10H,1-2H3
InChIKeyBOUDJYINOJBJLH-UHFFFAOYSA-N
MW328.31 g/mol
LogP4.58
Rot. Bonds3

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

methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate (PubChem CID 58553526) has the molecular formula C19H14F2O3 and a molecular weight of 328.31 g/mol. Its IUPAC name is methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate
PubChem CID58553526
Molecular FormulaC19H14F2O3
Molecular Weight328.31 g/mol
Exact Mass328.09
IUPAC Namemethyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(-c3c(OC)ccc(F)c3F)c2c1
InChIInChI=1S/C19H14F2O3/c1-23-16-9-8-15(20)18(21)17(16)13-5-3-4-11-6-7-12(10-14(11)13)19(22)24-2/h3-10H,1-2H3
InChIKeyBOUDJYINOJBJLH-UHFFFAOYSA-N
XLogP4.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 8-(2-fluoro-3-methoxyphenyl)naphthalene-2-carboxylate
CID 58553524
methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate
CID 58553228
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
methyl 8-(3-chloro-2-fluorophenyl)naphthalene-2-carboxylate
CID 58553414
methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate
CID 70227715
methyl 4-fluoro-3-naphthalen-1-ylbenzoate
CID 75488354
methyl 8-(4-cyano-2-methoxyphenyl)naphthalene-2-carboxylate
CID 58553410
methyl 8-(5-chloro-2-fluoro-3-pyridinyl)naphthalene-2-carboxylate
CID 58553365
methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate
CID 58553628
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849
8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553519
methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate
CID 58553621

Frequently Asked Questions

What is the IUPAC name of methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate?
The IUPAC name of methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate (CID 58553526) is methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate is COC(=O)c1ccc2cccc(-c3c(OC)ccc(F)c3F)c2c1.
What is the InChIKey of methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate?
The InChIKey is BOUDJYINOJBJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2O3/c1-23-16-9-8-15(20)18(21)17(16)13-5-3-4-11-6-7-12(10-14(11)13)19(22)24-2/h3-10H,1-2H3.
What are the key properties of methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate?
methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate has a molecular weight of 328.31 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate is sourced from PubChem (CID 58553526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).