10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one

C17H18O3 — CID 123746321

IUPAC10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one
SMILESCC12CCC(=O)C3Oc4c(O)ccc5c4C31CC(C5)C2
InChIInChI=1S/C17H18O3/c1-16-5-4-12(19)15-17(16)8-9(7-16)6-10-2-3-11(18)14(20-15)13(10)17/h2-3,9,15,18H,4-8H2,1H3
InChIKeyBQTJHWUBTXDOAG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.73
Rot. Bonds

About 10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one

10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one (PubChem CID 123746321) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one.

Molecular Properties

Compound Name10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one
PubChem CID123746321
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one
SMILESCC12CCC(=O)C3Oc4c(O)ccc5c4C31CC(C5)C2
InChIInChI=1S/C17H18O3/c1-16-5-4-12(19)15-17(16)8-9(7-16)6-10-2-3-11(18)14(20-15)13(10)17/h2-3,9,15,18H,4-8H2,1H3
InChIKeyBQTJHWUBTXDOAG-UHFFFAOYSA-N
XLogP2.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,12R,16S)-9,16-dihydroxy-3-methyl-11-oxa-3-azapentacyclo[8.6.1.01,12.04,16.06,17]heptadeca-6(17),7,9-trien-13-one
CID 129172833
(4R,4aS,7aR)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 70950653
(4R,4aS,12bS)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrobromide
CID 140665547
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 5497189
(4R,4aS,12bS)-4a,9-dihydroxy-3-propyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 162533366
(4R,4aS,7aR,12bS)-9-hydroxy-3-methyl-4a-[(2-methylpropan-2-yl)oxy]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 129012978
(1R,4R,12R,16S)-3-(cyclopropylmethyl)-9,16-dihydroxy-11-oxa-3-azapentacyclo[8.6.1.01,12.04,16.06,17]heptadeca-6(17),7,9-trien-13-one
CID 86280262
(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;iodomethane
CID 67533950
(4R,7aR)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 126683369
(4R,4aS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 163527606
(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 13307246
(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;sulfuric acid
CID 175081550

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one?
The IUPAC name of 10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one (CID 123746321) is 10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one.
What is the SMILES notation for 10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one?
The canonical SMILES for 10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one is CC12CCC(=O)C3Oc4c(O)ccc5c4C31CC(C5)C2.
What is the InChIKey of 10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one?
The InChIKey is BQTJHWUBTXDOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-16-5-4-12(19)15-17(16)8-9(7-16)6-10-2-3-11(18)14(20-15)13(10)17/h2-3,9,15,18H,4-8H2,1H3.
What are the key properties of 10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one?
10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one has a molecular weight of 270.33 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-3-methyl-8-oxapentacyclo[11.3.1.03,15.07,15.09,14]heptadeca-9,11,13-trien-6-one is sourced from PubChem (CID 123746321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).