[(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate

C19H16O3 — CID 20724517

IUPAC[(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc2cc(O)ccc2c1)c1ccccc1
InChIInChI=1S/C19H16O3/c1-13(14-5-3-2-4-6-14)22-19(21)17-8-7-16-12-18(20)10-9-15(16)11-17/h2-13,20H,1H3/t13-/m1/s1
InChIKeyWEDNRHVVCFCWJU-CYBMUJFWSA-N
MW292.33 g/mol
LogP4.46
Rot. Bonds3

About [(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate

[(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate (PubChem CID 20724517) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate
PubChem CID20724517
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name[(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc2cc(O)ccc2c1)c1ccccc1
InChIInChI=1S/C19H16O3/c1-13(14-5-3-2-4-6-14)22-19(21)17-8-7-16-12-18(20)10-9-15(16)11-17/h2-13,20H,1H3/t13-/m1/s1
InChIKeyWEDNRHVVCFCWJU-CYBMUJFWSA-N
XLogP4.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylethyl naphthalene-2-carboxylate
CID 13356574
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
phenyl 6-hydroxynaphthalene-2-carboxylate
CID 18762076
[(1S)-1-naphthalen-2-ylethyl] benzoate
CID 10683869
1-phenylethyl 3-amino-4-chlorobenzoate
CID 60716535
1-phenylethyl 4-[[4-(1-phenylethoxycarbonyl)phenyl]diazenyl]benzoate
CID 101338336
[(2S,3S)-3-(anthracene-2-carbonyloxy)butan-2-yl] anthracene-2-carboxylate
CID 102128962
1-phenylethyl 4-(methylamino)benzoate
CID 104625559
1-phenylethyl 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxybenzoate
CID 78147201
[(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate
CID 14438423

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate (CID 20724517) is [(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate is C[C@@H](OC(=O)c1ccc2cc(O)ccc2c1)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate?
The InChIKey is WEDNRHVVCFCWJU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H16O3/c1-13(14-5-3-2-4-6-14)22-19(21)17-8-7-16-12-18(20)10-9-15(16)11-17/h2-13,20H,1H3/t13-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate?
[(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 20724517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).