phenyl 3-hydroxy-2-naphthalen-1-ylpropanoate

C19H16O3 — CID 174770783

IUPACphenyl 3-hydroxy-2-naphthalen-1-ylpropanoate
SMILESO=C(Oc1ccccc1)C(CO)c1cccc2ccccc12
InChIInChI=1S/C19H16O3/c20-13-18(19(21)22-15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h1-12,18,20H,13H2
InChIKeyXFBQJMBNNXOEJH-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.52
Rot. Bonds4

About phenyl 3-hydroxy-2-naphthalen-1-ylpropanoate

phenyl 3-hydroxy-2-naphthalen-1-ylpropanoate (PubChem CID 174770783) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is phenyl 3-hydroxy-2-naphthalen-1-ylpropanoate.

Molecular Properties

Compound Namephenyl 3-hydroxy-2-naphthalen-1-ylpropanoate
PubChem CID174770783
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Namephenyl 3-hydroxy-2-naphthalen-1-ylpropanoate
SMILESO=C(Oc1ccccc1)C(CO)c1cccc2ccccc12
InChIInChI=1S/C19H16O3/c20-13-18(19(21)22-15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h1-12,18,20H,13H2
InChIKeyXFBQJMBNNXOEJH-UHFFFAOYSA-N
XLogP3.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
3-methyl-2-naphthalen-1-ylbut-3-en-1-ol
CID 10632339
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957
2-naphthalen-1-yl-3-phenylpropanamide
CID 141457606
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460
dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate
CID 166440080
2-O-naphthalen-1-yl 1-O-phenyl oxalate
CID 57149132
phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 9138862
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide
CID 23140892
methyl 3,3,3-trichloro-2-naphthalen-1-ylpropanoate
CID 174899487
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897

Frequently Asked Questions

What is the IUPAC name of phenyl 3-hydroxy-2-naphthalen-1-ylpropanoate?
The IUPAC name of phenyl 3-hydroxy-2-naphthalen-1-ylpropanoate (CID 174770783) is phenyl 3-hydroxy-2-naphthalen-1-ylpropanoate.
What is the SMILES notation for phenyl 3-hydroxy-2-naphthalen-1-ylpropanoate?
The canonical SMILES for phenyl 3-hydroxy-2-naphthalen-1-ylpropanoate is O=C(Oc1ccccc1)C(CO)c1cccc2ccccc12.
What is the InChIKey of phenyl 3-hydroxy-2-naphthalen-1-ylpropanoate?
The InChIKey is XFBQJMBNNXOEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c20-13-18(19(21)22-15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h1-12,18,20H,13H2.
What are the key properties of phenyl 3-hydroxy-2-naphthalen-1-ylpropanoate?
phenyl 3-hydroxy-2-naphthalen-1-ylpropanoate has a molecular weight of 292.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-hydroxy-2-naphthalen-1-ylpropanoate is sourced from PubChem (CID 174770783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).