ethyl [naphthalen-2-yl(phenyl)methyl] carbonate

C20H18O3 — CID 67900296

IUPACethyl [naphthalen-2-yl(phenyl)methyl] carbonate
SMILESCCOC(=O)OC(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H18O3/c1-2-22-20(21)23-19(16-9-4-3-5-10-16)18-13-12-15-8-6-7-11-17(15)14-18/h3-14,19H,2H2,1H3
InChIKeyFCWNSGSVYNQJGW-UHFFFAOYSA-N
MW306.36 g/mol
LogP5.10
Rot. Bonds4

About ethyl [naphthalen-2-yl(phenyl)methyl] carbonate

ethyl [naphthalen-2-yl(phenyl)methyl] carbonate (PubChem CID 67900296) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl [naphthalen-2-yl(phenyl)methyl] carbonate.

Molecular Properties

Compound Nameethyl [naphthalen-2-yl(phenyl)methyl] carbonate
PubChem CID67900296
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Nameethyl [naphthalen-2-yl(phenyl)methyl] carbonate
SMILESCCOC(=O)OC(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H18O3/c1-2-22-20(21)23-19(16-9-4-3-5-10-16)18-13-12-15-8-6-7-11-17(15)14-18/h3-14,19H,2H2,1H3
InChIKeyFCWNSGSVYNQJGW-UHFFFAOYSA-N
XLogP5.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
dinaphthalen-2-ylmethyl carbamate
CID 173097882
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
CID 171240068
[4-[acetyloxy(naphthalen-2-yl)methyl]phenyl] acetate
CID 25111120
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate
CID 23243327
ethyl (E,5S)-5-hydroxy-2-methyl-5-naphthalen-2-ylpent-2-enoate
CID 12024300
ethyl N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
CID 15364975
ethyl 2-(1-naphthalen-2-ylethylamino)acetate
CID 60680493
2-naphthalen-2-ylbutanoic acid
CID 27266
[(1R)-1-naphthalen-2-ylpropyl] acetate
CID 58079221

Frequently Asked Questions

What is the IUPAC name of ethyl [naphthalen-2-yl(phenyl)methyl] carbonate?
The IUPAC name of ethyl [naphthalen-2-yl(phenyl)methyl] carbonate (CID 67900296) is ethyl [naphthalen-2-yl(phenyl)methyl] carbonate.
What is the SMILES notation for ethyl [naphthalen-2-yl(phenyl)methyl] carbonate?
The canonical SMILES for ethyl [naphthalen-2-yl(phenyl)methyl] carbonate is CCOC(=O)OC(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of ethyl [naphthalen-2-yl(phenyl)methyl] carbonate?
The InChIKey is FCWNSGSVYNQJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-2-22-20(21)23-19(16-9-4-3-5-10-16)18-13-12-15-8-6-7-11-17(15)14-18/h3-14,19H,2H2,1H3.
What are the key properties of ethyl [naphthalen-2-yl(phenyl)methyl] carbonate?
ethyl [naphthalen-2-yl(phenyl)methyl] carbonate has a molecular weight of 306.36 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [naphthalen-2-yl(phenyl)methyl] carbonate is sourced from PubChem (CID 67900296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).