(E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid

C14H10O4 — CID 82263015

IUPAC(E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C/C(=O)c1c(O)ccc2ccccc12
InChIInChI=1S/C14H10O4/c15-11-6-5-9-3-1-2-4-10(9)14(11)12(16)7-8-13(17)18/h1-8,15H,(H,17,18)/b8-7+
InChIKeyFBCKAQUUCSWKRS-BQYQJAHWSA-N
MW242.23 g/mol
LogP2.37
Rot. Bonds3

About (E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid

(E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid (PubChem CID 82263015) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is (E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid
PubChem CID82263015
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name(E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C/C(=O)c1c(O)ccc2ccccc12
InChIInChI=1S/C14H10O4/c15-11-6-5-9-3-1-2-4-10(9)14(11)12(16)7-8-13(17)18/h1-8,15H,(H,17,18)/b8-7+
InChIKeyFBCKAQUUCSWKRS-BQYQJAHWSA-N
XLogP2.37
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260
1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol
CID 132502188
(Z)-but-2-enedioic acid;1-(2-hydroxynaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one
CID 67900366
2-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279236
phenanthrene;prop-2-enoic acid
CID 88600118
2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride
CID 67630986
2-hydroxynaphthalene-1-carboxylic acid;naphthalene-1-sulfonic acid
CID 175565769
methyl (E)-4-(2-methoxynaphthalen-1-yl)-4-oxobut-2-enoate
CID 82550402
(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 11572416
N-(diaminomethylidene)-2-hydroxynaphthalene-1-carboxamide;hydrate;hydrochloride
CID 22447281
(E)-3-[1-[(E)-2-carboxyethenyl]naphthalen-2-yl]prop-2-enoic acid
CID 67681158
1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol
CID 138979881

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid (CID 82263015) is (E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid is O=C(O)/C=C/C(=O)c1c(O)ccc2ccccc12.
What is the InChIKey of (E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid?
The InChIKey is FBCKAQUUCSWKRS-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H10O4/c15-11-6-5-9-3-1-2-4-10(9)14(11)12(16)7-8-13(17)18/h1-8,15H,(H,17,18)/b8-7+.
What are the key properties of (E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid?
(E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid has a molecular weight of 242.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid is sourced from PubChem (CID 82263015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).