2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate

C17H19O3- — CID 23183419

IUPAC2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate
SMILESCCC(CCCc1ccc2ccccc2c1O)C(=O)[O-]
InChIInChI=1S/C17H20O3/c1-2-12(17(19)20)7-5-8-14-11-10-13-6-3-4-9-15(13)16(14)18/h3-4,6,9-12,18H,2,5,7-8H2,1H3,(H,19,20)/p-1
InChIKeyAERARFDXWIHANN-UHFFFAOYSA-M
MW271.34 g/mol
LogP2.64
Rot. Bonds6

About 2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate

2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate (PubChem CID 23183419) has the molecular formula C17H19O3- and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate.

Molecular Properties

Compound Name2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate
PubChem CID23183419
Molecular FormulaC17H19O3-
Molecular Weight271.34 g/mol
Exact Mass271.13
IUPAC Name2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate
SMILESCCC(CCCc1ccc2ccccc2c1O)C(=O)[O-]
InChIInChI=1S/C17H20O3/c1-2-12(17(19)20)7-5-8-14-11-10-13-6-3-4-9-15(13)16(14)18/h3-4,6,9-12,18H,2,5,7-8H2,1H3,(H,19,20)/p-1
InChIKeyAERARFDXWIHANN-UHFFFAOYSA-M
XLogP2.64
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-undecylnaphthalen-1-ol
CID 139729579
10-(1-hydroxynaphthalen-2-yl)decanoic acid
CID 151914986
diphenylstibane;2-ethylhexanoate
CID 20835772
tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol
CID 23541393
2-(1-hydroxynaphthalen-2-yl)acetamide;hydrochloride
CID 161067432
tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate
CID 102111211
gallium 2-ethylhexanoate
CID 21118224
CID 21474875
CID 21474875
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
2-ethylhexanoate;tin(2+)
CID 23616604
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate?
The IUPAC name of 2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate (CID 23183419) is 2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate.
What is the SMILES notation for 2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate?
The canonical SMILES for 2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate is CCC(CCCc1ccc2ccccc2c1O)C(=O)[O-].
What is the InChIKey of 2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate?
The InChIKey is AERARFDXWIHANN-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H20O3/c1-2-12(17(19)20)7-5-8-14-11-10-13-6-3-4-9-15(13)16(14)18/h3-4,6,9-12,18H,2,5,7-8H2,1H3,(H,19,20)/p-1.
What are the key properties of 2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate?
2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate has a molecular weight of 271.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1-hydroxynaphthalen-2-yl)pentanoate is sourced from PubChem (CID 23183419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).