anthracene-1,8-diol;naphthalene-1,4-dione

C24H16O4 — CID 174610279

IUPACanthracene-1,8-diol;naphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2ccccc21.Oc1cccc2cc3cccc(O)c3cc12
InChIInChI=1S/C14H10O2.C10H6O2/c15-13-5-1-3-9-7-10-4-2-6-14(16)12(10)8-11(9)13;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-8,15-16H;1-6H
InChIKeyHPFCTEGHYPIQNI-UHFFFAOYSA-N
MW368.39 g/mol
LogP5.03
Rot. Bonds

About anthracene-1,8-diol;naphthalene-1,4-dione

anthracene-1,8-diol;naphthalene-1,4-dione (PubChem CID 174610279) has the molecular formula C24H16O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is anthracene-1,8-diol;naphthalene-1,4-dione.

Molecular Properties

Compound Nameanthracene-1,8-diol;naphthalene-1,4-dione
PubChem CID174610279
Molecular FormulaC24H16O4
Molecular Weight368.39 g/mol
Exact Mass368.10
IUPAC Nameanthracene-1,8-diol;naphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2ccccc21.Oc1cccc2cc3cccc(O)c3cc12
InChIInChI=1S/C14H10O2.C10H6O2/c15-13-5-1-3-9-7-10-4-2-6-14(16)12(10)8-11(9)13;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-8,15-16H;1-6H
InChIKeyHPFCTEGHYPIQNI-UHFFFAOYSA-N
XLogP5.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

heptacen-1-ol
CID 150633624
naphthalene-1,4-dione;1-nitroanthracene
CID 174918001
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
CID 87638914
hydron;naphthalene-1,4-dione
CID 174880921
sodium naphthalene-1,4-dione
CID 18935707
gold;naphthalene-1,4-dione
CID 159229238
hydrazine;naphthalene-1,4-dione
CID 67783218
ethane;naphthalene-1,4-dione
CID 54088717
4,5-dihydroxyanthracene-1,2-dione
CID 18977667
6-sulfanylpentacen-1-ol
CID 140731781
tricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one
CID 70393273
acetic acid;naphthalene-1,4-dione
CID 163817542

Frequently Asked Questions

What is the IUPAC name of anthracene-1,8-diol;naphthalene-1,4-dione?
The IUPAC name of anthracene-1,8-diol;naphthalene-1,4-dione (CID 174610279) is anthracene-1,8-diol;naphthalene-1,4-dione.
What is the SMILES notation for anthracene-1,8-diol;naphthalene-1,4-dione?
The canonical SMILES for anthracene-1,8-diol;naphthalene-1,4-dione is O=C1C=CC(=O)c2ccccc21.Oc1cccc2cc3cccc(O)c3cc12.
What is the InChIKey of anthracene-1,8-diol;naphthalene-1,4-dione?
The InChIKey is HPFCTEGHYPIQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2.C10H6O2/c15-13-5-1-3-9-7-10-4-2-6-14(16)12(10)8-11(9)13;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-8,15-16H;1-6H.
What are the key properties of anthracene-1,8-diol;naphthalene-1,4-dione?
anthracene-1,8-diol;naphthalene-1,4-dione has a molecular weight of 368.39 g/mol, XLogP of 5.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1,8-diol;naphthalene-1,4-dione is sourced from PubChem (CID 174610279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).