2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid

C16H14O6 — CID 22348600

IUPAC2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid
SMILESC=CC(=O)OCCOc1cc2ccccc2c(C(=O)O)c1O
InChIInChI=1S/C16H14O6/c1-2-13(17)22-8-7-21-12-9-10-5-3-4-6-11(10)14(15(12)18)16(19)20/h2-6,9,18H,1,7-8H2,(H,19,20)
InChIKeyXFOWMWUONTXXJX-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.35
Rot. Bonds6

About 2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid

2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid (PubChem CID 22348600) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid
PubChem CID22348600
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid
SMILESC=CC(=O)OCCOc1cc2ccccc2c(C(=O)O)c1O
InChIInChI=1S/C16H14O6/c1-2-13(17)22-8-7-21-12-9-10-5-3-4-6-11(10)14(15(12)18)16(19)20/h2-6,9,18H,1,7-8H2,(H,19,20)
InChIKeyXFOWMWUONTXXJX-UHFFFAOYSA-N
XLogP2.35
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate
CID 118232952
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
2-anthracen-9-ylethyl prop-2-enoate
CID 18335281
2-(3-prop-2-enoyloxypropoxy)ethyl anthracene-9-carboxylate
CID 163713436
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate
CID 141065793
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate
CID 67704213
(2-hydroxy-3-prop-2-enoyloxypropyl) anthracene-9-carboxylate
CID 54261077
4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate
CID 22913120
2-[[4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-yl]oxy]ethyl prop-2-enoate
CID 121373988
2-cinnolin-4-yloxyethyl prop-2-enoate
CID 59502687

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid?
The IUPAC name of 2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid (CID 22348600) is 2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid is C=CC(=O)OCCOc1cc2ccccc2c(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid?
The InChIKey is XFOWMWUONTXXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-2-13(17)22-8-7-21-12-9-10-5-3-4-6-11(10)14(15(12)18)16(19)20/h2-6,9,18H,1,7-8H2,(H,19,20).
What are the key properties of 2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid?
2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid has a molecular weight of 302.28 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid is sourced from PubChem (CID 22348600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).