CID 132600298

C27H16O5 — CID 132600298

IUPAC—
SMILESO=C1c2ccccc2C(=O)C12C(O)c1ccccc1C21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C27H16O5/c28-23-16-9-1-2-10-17(16)24(29)26(23)25(30)18-11-3-4-12-19(18)27(26)31-20-13-5-7-15-8-6-14-21(32-27)22(15)20/h1-14,25,30H
InChIKeyRNXNSHPJCNQXIN-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.58
Rot. Bonds

About CID 132600298

CID 132600298 (PubChem CID 132600298) has the molecular formula C27H16O5 and a molecular weight of 420.42 g/mol.

Molecular Properties

Compound NameCID 132600298
PubChem CID132600298
Molecular FormulaC27H16O5
Molecular Weight420.42 g/mol
Exact Mass420.10
IUPAC Name—
SMILESO=C1c2ccccc2C(=O)C12C(O)c1ccccc1C21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C27H16O5/c28-23-16-9-1-2-10-17(16)24(29)26(23)25(30)18-11-3-4-12-19(18)27(26)31-20-13-5-7-15-8-6-14-21(32-27)22(15)20/h1-14,25,30H
InChIKeyRNXNSHPJCNQXIN-UHFFFAOYSA-N
XLogP4.58
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 132937020
CID 132937020
(4'R,4'aS,8'S,8'aR)-4',8'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,5'-4,4a,8,8a-tetrahydronaphthalene]-1'-one
CID 139583207
(4'S,4'aS,8'R,8'aR)-4',8'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,5'-4,4a,8,8a-tetrahydronaphthalene]-1'-one
CID 163065359
3,8-dihydroxyspiro[2,3-dihydronaphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-one
CID 72771785
(1S,3R,3'R)-1,3'-dihydroxyspiro[1H-2-benzofuran-3,2'-3H-indene]-1'-one
CID 51357623
(1S)-3,7,10-trihydroxyspiro[11-oxatricyclo[4.4.1.01,6]undeca-3,8-diene-5,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-2-one
CID 163775433
spiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene]
CID 147801692
2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol
CID 134887514
(4R)-4-hydroxy-3-oxatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaen-2-one
CID 92860879
2',4',7'-trihydroxy-2'-(2-oxopropyl)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,3'-indene]-1'-one
CID 162965106
(1S)-2,2-dimethyl-1H-acenaphthylene-1-carboxylic acid
CID 125481192
nonacyclo[12.12.9.127,31.01,14.02,7.08,13.015,20.021,26.035,36]hexatriaconta-2,4,6,8,10,12,15,17,19,21,23,25,27,29,31(36),32,34-heptadecaene
CID 101134797

Frequently Asked Questions

What is the IUPAC name of CID 132600298?
The IUPAC name of CID 132600298 (CID 132600298) is not available.
What is the SMILES notation for CID 132600298?
The canonical SMILES for CID 132600298 is O=C1c2ccccc2C(=O)C12C(O)c1ccccc1C21Oc2cccc3cccc(c23)O1.
What is the InChIKey of CID 132600298?
The InChIKey is RNXNSHPJCNQXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16O5/c28-23-16-9-1-2-10-17(16)24(29)26(23)25(30)18-11-3-4-12-19(18)27(26)31-20-13-5-7-15-8-6-14-21(32-27)22(15)20/h1-14,25,30H.
What are the key properties of CID 132600298?
CID 132600298 has a molecular weight of 420.42 g/mol, XLogP of 4.58, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132600298 is sourced from PubChem (CID 132600298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).