(1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione

C15H12O3 — CID 132516042

IUPAC(1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione
SMILESO=C1c2ccccc2C(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1O
InChIInChI=1S/C15H12O3/c16-13-9-5-6-10(13)12-11(9)14(17)7-3-1-2-4-8(7)15(12)18/h1-6,9-13,16H/t9-,10+,11+,12-,13?
InChIKeyNAPXHPVHLMPCEM-IQYBISDWSA-N
MW240.26 g/mol
LogP1.47
Rot. Bonds

About (1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione

(1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione (PubChem CID 132516042) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione.

Molecular Properties

Compound Name(1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione
PubChem CID132516042
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione
SMILESO=C1c2ccccc2C(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1O
InChIInChI=1S/C15H12O3/c16-13-9-5-6-10(13)12-11(9)14(17)7-3-1-2-4-8(7)15(12)18/h1-6,9-13,16H/t9-,10+,11+,12-,13?
InChIKeyNAPXHPVHLMPCEM-IQYBISDWSA-N
XLogP1.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 10219583
(1S,2R,11S,12R)-tetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione
CID 139055633
4-hydroxy-2,2-dimethyl-3,4,4a,10a-tetrahydrobenzo[g]chromene-5,10-dione
CID 162817724
(4S,4aR,10aR)-4-hydroxy-2,2-dimethyl-3,4,4a,10a-tetrahydrobenzo[g]chromene-5,10-dione
CID 132989066
octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-4,6,8,13,15,17,19,21,23,25,27,29,31-tridecaene-3,10-dione
CID 75586920
4a,9a-dihydroanthracene-9,10-dione;ethane
CID 90920478
(1S,2R,3R,4S,5R,7R,9S,11R,12S,15R)-8-hydroxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione
CID 124784887
3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione
CID 154638824
(8,10-dioxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)thallium
CID 134863179
(1S,3S,12S,14S)-2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5,7,9,16,18,20-hexaene-4,11,15,22-tetrone
CID 92537111
(1S,3R,12S,14S)-2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5,7,9,16,18,20-hexaene-4,11,15,22-tetrone
CID 98085181
2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione
CID 70396828

Frequently Asked Questions

What is the IUPAC name of (1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione?
The IUPAC name of (1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione (CID 132516042) is (1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione.
What is the SMILES notation for (1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione?
The canonical SMILES for (1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione is O=C1c2ccccc2C(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1O.
What is the InChIKey of (1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione?
The InChIKey is NAPXHPVHLMPCEM-IQYBISDWSA-N. The full InChI is InChI=1S/C15H12O3/c16-13-9-5-6-10(13)12-11(9)14(17)7-3-1-2-4-8(7)15(12)18/h1-6,9-13,16H/t9-,10+,11+,12-,13?.
What are the key properties of (1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione?
(1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione has a molecular weight of 240.26 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione is sourced from PubChem (CID 132516042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).