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

C17H20O3 — CID 15617917

IUPACethyl 5-(1-hydroxynaphthalen-2-yl)pentanoate
SMILESCCOC(=O)CCCCc1ccc2ccccc2c1O
InChIInChI=1S/C17H20O3/c1-2-20-16(18)10-6-4-8-14-12-11-13-7-3-5-9-15(13)17(14)19/h3,5,7,9,11-12,19H,2,4,6,8,10H2,1H3
InChIKeyBJYQCDMXMKBCEV-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.82
Rot. Bonds6

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

ethyl 5-(1-hydroxynaphthalen-2-yl)pentanoate (PubChem CID 15617917) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl 5-(1-hydroxynaphthalen-2-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(1-hydroxynaphthalen-2-yl)pentanoate
PubChem CID15617917
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Nameethyl 5-(1-hydroxynaphthalen-2-yl)pentanoate
SMILESCCOC(=O)CCCCc1ccc2ccccc2c1O
InChIInChI=1S/C17H20O3/c1-2-20-16(18)10-6-4-8-14-12-11-13-7-3-5-9-15(13)17(14)19/h3,5,7,9,11-12,19H,2,4,6,8,10H2,1H3
InChIKeyBJYQCDMXMKBCEV-UHFFFAOYSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-hydroxynaphthalen-2-yl)pentanoate?
The IUPAC name of ethyl 5-(1-hydroxynaphthalen-2-yl)pentanoate (CID 15617917) is ethyl 5-(1-hydroxynaphthalen-2-yl)pentanoate.
What is the SMILES notation for ethyl 5-(1-hydroxynaphthalen-2-yl)pentanoate?
The canonical SMILES for ethyl 5-(1-hydroxynaphthalen-2-yl)pentanoate is CCOC(=O)CCCCc1ccc2ccccc2c1O.
What is the InChIKey of ethyl 5-(1-hydroxynaphthalen-2-yl)pentanoate?
The InChIKey is BJYQCDMXMKBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-2-20-16(18)10-6-4-8-14-12-11-13-7-3-5-9-15(13)17(14)19/h3,5,7,9,11-12,19H,2,4,6,8,10H2,1H3.
What are the key properties of ethyl 5-(1-hydroxynaphthalen-2-yl)pentanoate?
ethyl 5-(1-hydroxynaphthalen-2-yl)pentanoate has a molecular weight of 272.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-hydroxynaphthalen-2-yl)pentanoate is sourced from PubChem (CID 15617917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).