ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate

C17H18O3 — CID 102309016

IUPACethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1c(CCO)ccc2ccccc12
InChIInChI=1S/C17H18O3/c1-2-20-17(19)10-9-16-14(11-12-18)8-7-13-5-3-4-6-15(13)16/h3-10,18H,2,11-12H2,1H3/b10-9+
InChIKeyHULPXUISCANKSW-MDZDMXLPSA-N
MW270.33 g/mol
LogP2.95
Rot. Bonds5

About ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate

ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate (PubChem CID 102309016) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate
PubChem CID102309016
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Nameethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1c(CCO)ccc2ccccc12
InChIInChI=1S/C17H18O3/c1-2-20-17(19)10-9-16-14(11-12-18)8-7-13-5-3-4-6-15(13)16/h3-10,18H,2,11-12H2,1H3/b10-9+
InChIKeyHULPXUISCANKSW-MDZDMXLPSA-N
XLogP2.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 24905749
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CID 102265861
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
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4-hydroxybutyl (E)-3-anthracen-9-ylprop-2-enoate
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CID 135014800
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ethyl (E)-3-isoquinolin-3-ylprop-2-enoate
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ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932
ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
CID 169480916
ethyl (E)-3-(2,6-dibutyl-3-methoxyphenyl)prop-2-enoate
CID 162420505

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate (CID 102309016) is ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate is CCOC(=O)/C=C/c1c(CCO)ccc2ccccc12.
What is the InChIKey of ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate?
The InChIKey is HULPXUISCANKSW-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-20-17(19)10-9-16-14(11-12-18)8-7-13-5-3-4-6-15(13)16/h3-10,18H,2,11-12H2,1H3/b10-9+.
What are the key properties of ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate?
ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate has a molecular weight of 270.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate is sourced from PubChem (CID 102309016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).