2-hydroxyethyl acenaphthylene-1-carboxylate

C15H12O3 — CID 59547499

IUPAC2-hydroxyethyl acenaphthylene-1-carboxylate
SMILESO=C(OCCO)C1=Cc2cccc3cccc1c23
InChIInChI=1S/C15H12O3/c16-7-8-18-15(17)13-9-11-5-1-3-10-4-2-6-12(13)14(10)11/h1-6,9,16H,7-8H2
InChIKeyKELSMZDPRZMZDH-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.23
Rot. Bonds3

About 2-hydroxyethyl acenaphthylene-1-carboxylate

2-hydroxyethyl acenaphthylene-1-carboxylate (PubChem CID 59547499) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-hydroxyethyl acenaphthylene-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl acenaphthylene-1-carboxylate
PubChem CID59547499
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-hydroxyethyl acenaphthylene-1-carboxylate
SMILESO=C(OCCO)C1=Cc2cccc3cccc1c23
InChIInChI=1S/C15H12O3/c16-7-8-18-15(17)13-9-11-5-1-3-10-4-2-6-12(13)14(10)11/h1-6,9,16H,7-8H2
InChIKeyKELSMZDPRZMZDH-UHFFFAOYSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl 4-(2-phenylphenyl)benzoate
CID 139650323
2-aminophenalen-1-one
CID 13013288
4-(pyrene-1-carbonyloxy)butyl pyrene-1-carboxylate
CID 101008536
bis(2-hydroxyethyl)-[(1-oxophenalen-2-yl)methyl]azanium
CID 140633638
(E)-but-2-enedioic acid;2-(dimethylamino)ethyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-9-carboxylate
CID 6445337
2-hydroxyethyl 2-aminooxybenzoate
CID 21127308
2-methylphenalen-1-one
CID 15695099
acenaphthylen-1-yl 2-ethylidenetetradecanoate
CID 175495349
dimethyl-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]-[(1-oxophenalen-2-yl)methyl]azanium;ethane
CID 142428134
3-[2-(2,3-dicarboxyphenyl)-3,4-bis(2-hydroxyethoxycarbonyl)phenyl]phthalic acid
CID 123675391
2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one
CID 142428167
sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate
CID 174690004

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl acenaphthylene-1-carboxylate?
The IUPAC name of 2-hydroxyethyl acenaphthylene-1-carboxylate (CID 59547499) is 2-hydroxyethyl acenaphthylene-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl acenaphthylene-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl acenaphthylene-1-carboxylate is O=C(OCCO)C1=Cc2cccc3cccc1c23.
What is the InChIKey of 2-hydroxyethyl acenaphthylene-1-carboxylate?
The InChIKey is KELSMZDPRZMZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-7-8-18-15(17)13-9-11-5-1-3-10-4-2-6-12(13)14(10)11/h1-6,9,16H,7-8H2.
What are the key properties of 2-hydroxyethyl acenaphthylene-1-carboxylate?
2-hydroxyethyl acenaphthylene-1-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl acenaphthylene-1-carboxylate is sourced from PubChem (CID 59547499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).