(3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one

C19H20O6 — CID 134962846

IUPAC(3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one
SMILESCOc1cccc2c1OCCCOc1c(OC)cccc1[C@@H](O)C2=O
InChIInChI=1S/C19H20O6/c1-22-14-8-3-6-12-16(20)17(21)13-7-4-9-15(23-2)19(13)25-11-5-10-24-18(12)14/h3-4,6-9,16,20H,5,10-11H2,1-2H3/t16-/m1/s1
InChIKeyQKNVLFDPNVZWRE-MRXNPFEDSA-N
MW344.36 g/mol
LogP2.78
Rot. Bonds2

About (3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one

(3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one (PubChem CID 134962846) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is (3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one
PubChem CID134962846
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one
SMILESCOc1cccc2c1OCCCOc1c(OC)cccc1[C@@H](O)C2=O
InChIInChI=1S/C19H20O6/c1-22-14-8-3-6-12-16(20)17(21)13-7-4-9-15(23-2)19(13)25-11-5-10-24-18(12)14/h3-4,6-9,16,20H,5,10-11H2,1-2H3/t16-/m1/s1
InChIKeyQKNVLFDPNVZWRE-MRXNPFEDSA-N
XLogP2.78
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-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

3,8-dimethoxy-2,3-dihydrochromen-4-one
CID 130039338
8-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43511818
8-methoxy-1,3-benzodioxin-4-one
CID 141355094
9-methoxy-4-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250923
methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate
CID 10922937
1-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-3-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)urea
CID 138022701
2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid
CID 83912173
4-isocyanato-8-methoxy-3,4-dihydro-2H-chromene
CID 83832693
methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate
CID 22435586
4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188688
8-methoxy-3-methylidenechromen-4-one
CID 82277876
3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one
CID 46218586

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one?
The IUPAC name of (3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one (CID 134962846) is (3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one.
What is the SMILES notation for (3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one?
The canonical SMILES for (3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one is COc1cccc2c1OCCCOc1c(OC)cccc1[C@@H](O)C2=O.
What is the InChIKey of (3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one?
The InChIKey is QKNVLFDPNVZWRE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20O6/c1-22-14-8-3-6-12-16(20)17(21)13-7-4-9-15(23-2)19(13)25-11-5-10-24-18(12)14/h3-4,6-9,16,20H,5,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one?
(3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one has a molecular weight of 344.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one is sourced from PubChem (CID 134962846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).