(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

C16H10O3 — CID 92860879

IUPAC(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
SMILESO=C1O[C@@H](O)c2cccc3ccc4cccc1c4c23
InChIInChI=1S/C16H10O3/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16(18)19-15)14(10)13(9)11/h1-8,15,17H/t15-/m1/s1
InChIKeyFHNQXICDGGUJIP-OAHLLOKOSA-N
MW250.25 g/mol
LogP3.15
Rot. Bonds

About (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

(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 (PubChem CID 92860879) has the molecular formula C16H10O3 and a molecular weight of 250.25 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID92860879
Molecular FormulaC16H10O3
Molecular Weight250.25 g/mol
Exact Mass250.06
IUPAC Name(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
SMILESO=C1O[C@@H](O)c2cccc3ccc4cccc1c4c23
InChIInChI=1S/C16H10O3/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16(18)19-15)14(10)13(9)11/h1-8,15,17H/t15-/m1/s1
InChIKeyFHNQXICDGGUJIP-OAHLLOKOSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione
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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C1O[C@@H](O)c2cccc3ccc4cccc1c4c23.
What is the InChIKey of (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?
The InChIKey is FHNQXICDGGUJIP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H10O3/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16(18)19-15)14(10)13(9)11/h1-8,15,17H/t15-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 250.25 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 92860879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).