2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione

C13H10O3 — CID 24799947

IUPAC2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione
SMILESC=CC(O)C1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C13H10O3/c1-2-11(14)10-7-12(15)8-5-3-4-6-9(8)13(10)16/h2-7,11,14H,1H2
InChIKeySRGGEVUHYKFNIF-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.54
Rot. Bonds2

About 2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione

2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione (PubChem CID 24799947) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione
PubChem CID24799947
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione
SMILESC=CC(O)C1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C13H10O3/c1-2-11(14)10-7-12(15)8-5-3-4-6-9(8)13(10)16/h2-7,11,14H,1H2
InChIKeySRGGEVUHYKFNIF-UHFFFAOYSA-N
XLogP1.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,4-Dioxo-1,4-dihydronaphthalene-2-carboxylic acid
CID 17765246
2-(Hydroxy-phenylmethyl)cyclopent-2-en-1-one
CID 11030566
Propolis neoflavonoid 2
CID 11183777
Omega-hydroxymenaquinone-4
CID 16725935
Hydroxypropiophenone
CID 569605
(4R,6S)-4-Hydroxy-6-(1-Phenylallyl)Cyclohex-2-Enone
CID 11148893
3-oxo-4H-naphthalene-2-carboxylic acid
CID 19752124
ss-Hydroxymethyl chalcone
CID 137653293
2-(1-Hydroxyethyl)naphthalene-1,4-dione
CID 11481099
2-(10-Hydroxydecyl)-3-methylnaphthalene-1,4-dione
CID 101627872
2-Hydroxyethyl-3-methyl-1,4-naphthoquinone
CID 10059153
1(2H)-Naphthalenone, 3,4-dihydro-4-hydroxy-, (4S)-
CID 11240662

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione?
The IUPAC name of 2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione (CID 24799947) is 2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione.
What is the SMILES notation for 2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione?
The canonical SMILES for 2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione is C=CC(O)C1=CC(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione?
The InChIKey is SRGGEVUHYKFNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c1-2-11(14)10-7-12(15)8-5-3-4-6-9(8)13(10)16/h2-7,11,14H,1H2.
What are the key properties of 2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione?
2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione has a molecular weight of 214.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyprop-2-enyl)naphthalene-1,4-dione is sourced from PubChem (CID 24799947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).