1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate

C23H24O9 — CID 67704213

IUPAC1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.C=CC(=O)OCCc1c(C(=O)O)c(C(=O)O)c(O)c2ccccc12
InChIInChI=1S/C17H14O7.C6H10O2/c1-2-12(18)24-8-7-10-9-5-3-4-6-11(9)15(19)14(17(22)23)13(10)16(20)21;1-3-5-8-6(7)4-2/h2-6,19H,1,7-8H2,(H,20,21)(H,22,23);4H,2-3,5H2,1H3
InChIKeyVVXKWPWAOKIVOT-UHFFFAOYSA-N
MW444.44 g/mol
LogP3.34
Rot. Bonds9

About 1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate

1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate (PubChem CID 67704213) has the molecular formula C23H24O9 and a molecular weight of 444.44 g/mol. Its IUPAC name is 1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate.

Molecular Properties

Compound Name1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate
PubChem CID67704213
Molecular FormulaC23H24O9
Molecular Weight444.44 g/mol
Exact Mass444.14
IUPAC Name1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.C=CC(=O)OCCc1c(C(=O)O)c(C(=O)O)c(O)c2ccccc12
InChIInChI=1S/C17H14O7.C6H10O2/c1-2-12(18)24-8-7-10-9-5-3-4-6-11(9)15(19)14(17(22)23)13(10)16(20)21;1-3-5-8-6(7)4-2/h2-6,19H,1,7-8H2,(H,20,21)(H,22,23);4H,2-3,5H2,1H3
InChIKeyVVXKWPWAOKIVOT-UHFFFAOYSA-N
XLogP3.34
TPSA147.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-anthracen-9-ylethyl prop-2-enoate
CID 18335281
2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid
CID 22348600
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
carbamic acid;propyl prop-2-enoate
CID 87571569
2-(2-hydroxyethyl)-3-(2-prop-2-enoyloxyethyl)terephthalic acid
CID 140978667
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
2-(2-nonylphenyl)ethyl prop-2-enoate
CID 67822598
2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate
CID 138558587
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
butyl prop-2-enoate;styrene
CID 68545727
bis(butyl prop-2-enoate);styrene
CID 175337841
1,4-diethylnaphthalene-2,3-dicarboxylic acid
CID 19961477

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate?
The IUPAC name of 1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate (CID 67704213) is 1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate.
What is the SMILES notation for 1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate?
The canonical SMILES for 1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate is C=CC(=O)OCCC.C=CC(=O)OCCc1c(C(=O)O)c(C(=O)O)c(O)c2ccccc12.
What is the InChIKey of 1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate?
The InChIKey is VVXKWPWAOKIVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O7.C6H10O2/c1-2-12(18)24-8-7-10-9-5-3-4-6-11(9)15(19)14(17(22)23)13(10)16(20)21;1-3-5-8-6(7)4-2/h2-6,19H,1,7-8H2,(H,20,21)(H,22,23);4H,2-3,5H2,1H3.
What are the key properties of 1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate?
1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate has a molecular weight of 444.44 g/mol, XLogP of 3.34, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate is sourced from PubChem (CID 67704213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).