7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione

C18H10O5 — CID 162929112

IUPAC7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
SMILESO=C1OC(=O)c2cc(O)c(O)c3c(-c4ccccc4)ccc1c23
InChIInChI=1S/C18H10O5/c19-13-8-12-14-11(17(21)23-18(12)22)7-6-10(15(14)16(13)20)9-4-2-1-3-5-9/h1-8,19-20H
InChIKeyODZFJYLPTNQEQL-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.23
Rot. Bonds1

About 7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione

7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione (PubChem CID 162929112) has the molecular formula C18H10O5 and a molecular weight of 306.27 g/mol. Its IUPAC name is 7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione.

Molecular Properties

Compound Name7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
PubChem CID162929112
Molecular FormulaC18H10O5
Molecular Weight306.27 g/mol
Exact Mass306.05
IUPAC Name7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
SMILESO=C1OC(=O)c2cc(O)c(O)c3c(-c4ccccc4)ccc1c23
InChIInChI=1S/C18H10O5/c19-13-8-12-14-11(17(21)23-18(12)22)7-6-10(15(14)16(13)20)9-4-2-1-3-5-9/h1-8,19-20H
InChIKeyODZFJYLPTNQEQL-UHFFFAOYSA-N
XLogP3.23
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-(1,3-dioxoinden-5-yl)-6-phenyl-2-benzofuran-1,3-dione
CID 143653406
formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
3,6-dihydroxy-4-phenylphthalic acid
CID 175175774
3-hydroxy-6-phenylbenzene-1,2-disulfonic acid
CID 21278689
11,12-dihydroxy-15-phenyl-14-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one
CID 71439122
2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol
CID 175399417
12-hydroxy-6,15-dioxatetracyclo[9.7.0.04,17.08,13]octadeca-1(18),2,4(17),8(13),9,11-hexaene-5,7,14,16-tetrone
CID 57145576
2,5-dihydroxy-4-phenylbenzoic acid
CID 154086756
2,5,6-triphenylpyridin-3-ol
CID 134913850
2-benzofuran-1,3-dione
CID 123741998
2-benzofuran-1,3-dione
CID 163894732
5,12,20-tris[4-(N-phenylanilino)phenyl]-16-oxahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2(23),3,5,7,9,11(21),12,14(22),18-decaene-15,17-dione
CID 102345525

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The IUPAC name of 7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CID 162929112) is 7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione.
What is the SMILES notation for 7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The canonical SMILES for 7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione is O=C1OC(=O)c2cc(O)c(O)c3c(-c4ccccc4)ccc1c23.
What is the InChIKey of 7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The InChIKey is ODZFJYLPTNQEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O5/c19-13-8-12-14-11(17(21)23-18(12)22)7-6-10(15(14)16(13)20)9-4-2-1-3-5-9/h1-8,19-20H.
What are the key properties of 7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione has a molecular weight of 306.27 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione is sourced from PubChem (CID 162929112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).