ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate

C18H22O3 — CID 174829353

IUPACethyl 5-hydroxy-4-naphthalen-1-ylhexanoate
SMILESCCOC(=O)CCC(c1cccc2ccccc12)C(C)O
InChIInChI=1S/C18H22O3/c1-3-21-18(20)12-11-15(13(2)19)17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,15,19H,3,11-12H2,1-2H3
InChIKeyOERIMLFQZZQLSV-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.65
Rot. Bonds6

About ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate

ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate (PubChem CID 174829353) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate.

Molecular Properties

Compound Nameethyl 5-hydroxy-4-naphthalen-1-ylhexanoate
PubChem CID174829353
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Nameethyl 5-hydroxy-4-naphthalen-1-ylhexanoate
SMILESCCOC(=O)CCC(c1cccc2ccccc12)C(C)O
InChIInChI=1S/C18H22O3/c1-3-21-18(20)12-11-15(13(2)19)17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,15,19H,3,11-12H2,1-2H3
InChIKeyOERIMLFQZZQLSV-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate
CID 71517486
ethyl (4S)-4-naphthalen-1-yl-3-oxohexanoate
CID 129382267
dichlorozinc;21,22-dihydroporphyrin;ethyl 5,5-dichloro-4-naphthalen-1-ylpentanoate
CID 174750270
ethyl 4-chloro-4-(2-ethylphenyl)butanoate
CID 103440097
methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate
CID 7145124
ethyl 5-naphthalen-1-yl-4-nitropentanoate
CID 597474
bis(21,22-dihydroporphyrin);ethyl 4,4-dinaphthalen-1-ylbutanoate
CID 174843789
ethyl (4S,6R)-6-hydroxy-4-phenylheptanoate
CID 10944846
ethyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-naphthalen-1-ylpropanoate
CID 46837972
ethyl 3-hydroxy-3-isoquinolin-4-ylpropanoate
CID 104505059
ethyl 2-hydroxy-2-methyl-3-naphthalen-1-ylbutanoate
CID 79298470
2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
CID 158376535

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate?
The IUPAC name of ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate (CID 174829353) is ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate.
What is the SMILES notation for ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate?
The canonical SMILES for ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate is CCOC(=O)CCC(c1cccc2ccccc12)C(C)O.
What is the InChIKey of ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate?
The InChIKey is OERIMLFQZZQLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-3-21-18(20)12-11-15(13(2)19)17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,15,19H,3,11-12H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate?
ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate has a molecular weight of 286.37 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate is sourced from PubChem (CID 174829353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).