1-phenylethyl naphthalene-2-carboxylate

C19H16O2 — CID 13356574

IUPAC1-phenylethyl naphthalene-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H16O2/c1-14(15-7-3-2-4-8-15)21-19(20)18-12-11-16-9-5-6-10-17(16)13-18/h2-14H,1H3
InChIKeyLXLRGDVMBDSWLD-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.76
Rot. Bonds3

About 1-phenylethyl naphthalene-2-carboxylate

1-phenylethyl naphthalene-2-carboxylate (PubChem CID 13356574) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-phenylethyl naphthalene-2-carboxylate.

Molecular Properties

Compound Name1-phenylethyl naphthalene-2-carboxylate
PubChem CID13356574
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name1-phenylethyl naphthalene-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H16O2/c1-14(15-7-3-2-4-8-15)21-19(20)18-12-11-16-9-5-6-10-17(16)13-18/h2-14H,1H3
InChIKeyLXLRGDVMBDSWLD-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate
CID 20724517
[(1S)-1-naphthalen-2-ylethyl] benzoate
CID 10683869
1-phenylethyl benzoate
CID 174857426
[(1S)-1-phenylethyl] 4-[4-[4-[(1S)-1-phenylethoxy]carbonylphenyl]phenyl]benzoate
CID 67736899
4-[(1S)-1-phenylethoxy]carbonylbenzoic acid
CID 139796001
[(2S,3S)-3-(anthracene-2-carbonyloxy)butan-2-yl] anthracene-2-carboxylate
CID 102128962
[(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881119
1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate
CID 118258856
1-phenylethyl 3-amino-4-chlorobenzoate
CID 60716535
1-phenylethyl 4-[[4-(1-phenylethoxycarbonyl)phenyl]diazenyl]benzoate
CID 101338336
1-phenylethyl 4-(methylamino)benzoate
CID 104625559
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-2-carboxylate
CID 2674820

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl naphthalene-2-carboxylate?
The IUPAC name of 1-phenylethyl naphthalene-2-carboxylate (CID 13356574) is 1-phenylethyl naphthalene-2-carboxylate.
What is the SMILES notation for 1-phenylethyl naphthalene-2-carboxylate?
The canonical SMILES for 1-phenylethyl naphthalene-2-carboxylate is CC(OC(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 1-phenylethyl naphthalene-2-carboxylate?
The InChIKey is LXLRGDVMBDSWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-14(15-7-3-2-4-8-15)21-19(20)18-12-11-16-9-5-6-10-17(16)13-18/h2-14H,1H3.
What are the key properties of 1-phenylethyl naphthalene-2-carboxylate?
1-phenylethyl naphthalene-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl naphthalene-2-carboxylate is sourced from PubChem (CID 13356574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).