ethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate

C17H20O3 — CID 165348509

IUPACethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate
SMILESCCOC(=O)CCCc1ccc2c(C)c(O)ccc2c1
InChIInChI=1S/C17H20O3/c1-3-20-17(19)6-4-5-13-7-9-15-12(2)16(18)10-8-14(15)11-13/h7-11,18H,3-6H2,1-2H3
InChIKeyYOSGLUUXZZKNPV-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.74
Rot. Bonds5

About ethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate

ethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate (PubChem CID 165348509) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate
PubChem CID165348509
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Nameethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate
SMILESCCOC(=O)CCCc1ccc2c(C)c(O)ccc2c1
InChIInChI=1S/C17H20O3/c1-3-20-17(19)6-4-5-13-7-9-15-12(2)16(18)10-8-14(15)11-13/h7-11,18H,3-6H2,1-2H3
InChIKeyYOSGLUUXZZKNPV-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Naproxen
CID 156391
3-Hydroxy-2-naphthoic acid
CID 7104
6-Methoxy-2-naphthylacetic acid
CID 32176
Methallenestril
CID 10599
2-(6-Methoxy-2-naphthyl)propionic acid
CID 1302
Triptophenolide
CID 173273
6-Hydroxy-2-naphthoic acid
CID 85557
Podocarpic Acid
CID 93017
2-Hydroxy-1-naphthoic acid
CID 16790
Hexamethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
CID 64870
O-Desmethylnaproxen
CID 13393711
Ro 12-7310
CID 6438583

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate?
The IUPAC name of ethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate (CID 165348509) is ethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate.
What is the SMILES notation for ethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate?
The canonical SMILES for ethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate is CCOC(=O)CCCc1ccc2c(C)c(O)ccc2c1.
What is the InChIKey of ethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate?
The InChIKey is YOSGLUUXZZKNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-3-20-17(19)6-4-5-13-7-9-15-12(2)16(18)10-8-14(15)11-13/h7-11,18H,3-6H2,1-2H3.
What are the key properties of ethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate?
ethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate has a molecular weight of 272.34 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-hydroxy-5-methylnaphthalen-2-yl)butanoate is sourced from PubChem (CID 165348509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).