ethyl 4-phenylmethoxynaphthalene-2-carboxylate

C20H18O3 — CID 22127020

IUPACethyl 4-phenylmethoxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(OCc2ccccc2)c2ccccc2c1
InChIInChI=1S/C20H18O3/c1-2-22-20(21)17-12-16-10-6-7-11-18(16)19(13-17)23-14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3
InChIKeyHFBCYSDXUCTZDV-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.60
Rot. Bonds5

About ethyl 4-phenylmethoxynaphthalene-2-carboxylate

ethyl 4-phenylmethoxynaphthalene-2-carboxylate (PubChem CID 22127020) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 4-phenylmethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenylmethoxynaphthalene-2-carboxylate
PubChem CID22127020
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Nameethyl 4-phenylmethoxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(OCc2ccccc2)c2ccccc2c1
InChIInChI=1S/C20H18O3/c1-2-22-20(21)17-12-16-10-6-7-11-18(16)19(13-17)23-14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3
InChIKeyHFBCYSDXUCTZDV-UHFFFAOYSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
CID 10396060
ethyl 7-phenylmethoxy-4-(trifluoromethylsulfonyloxy)naphthalene-2-carboxylate
CID 59590499
ethyl acetate;ethyl 4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 90757798
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
ethyl 3,4-dihydroxybenzoate;ethyl 3-hydroxy-4-phenylmethoxybenzoate;methane
CID 158916697
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate
CID 135069331

Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenylmethoxynaphthalene-2-carboxylate?
The IUPAC name of ethyl 4-phenylmethoxynaphthalene-2-carboxylate (CID 22127020) is ethyl 4-phenylmethoxynaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 4-phenylmethoxynaphthalene-2-carboxylate?
The canonical SMILES for ethyl 4-phenylmethoxynaphthalene-2-carboxylate is CCOC(=O)c1cc(OCc2ccccc2)c2ccccc2c1.
What is the InChIKey of ethyl 4-phenylmethoxynaphthalene-2-carboxylate?
The InChIKey is HFBCYSDXUCTZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-2-22-20(21)17-12-16-10-6-7-11-18(16)19(13-17)23-14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 4-phenylmethoxynaphthalene-2-carboxylate?
ethyl 4-phenylmethoxynaphthalene-2-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenylmethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 22127020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).