1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one

C19H26O5 — CID 144887359

IUPAC1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one
SMILESCCCC12c3c(C)ccc(O)c3OC1C(=O)CC(O)C2(O)C(C)C
InChIInChI=1S/C19H26O5/c1-5-8-18-15-11(4)6-7-12(20)16(15)24-17(18)13(21)9-14(22)19(18,23)10(2)3/h6-7,10,14,17,20,22-23H,5,8-9H2,1-4H3
InChIKeySLDBVVRXNSXQIY-UHFFFAOYSA-N
MW334.41 g/mol
LogP2.22
Rot. Bonds3

About 1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one

1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one (PubChem CID 144887359) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is 1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one.

Molecular Properties

Compound Name1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one
PubChem CID144887359
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one
SMILESCCCC12c3c(C)ccc(O)c3OC1C(=O)CC(O)C2(O)C(C)C
InChIInChI=1S/C19H26O5/c1-5-8-18-15-11(4)6-7-12(20)16(15)24-17(18)13(21)9-14(22)19(18,23)10(2)3/h6-7,10,14,17,20,22-23H,5,8-9H2,1-4H3
InChIKeySLDBVVRXNSXQIY-UHFFFAOYSA-N
XLogP2.22
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one?
The IUPAC name of 1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one (CID 144887359) is 1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one.
What is the SMILES notation for 1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one?
The canonical SMILES for 1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one is CCCC12c3c(C)ccc(O)c3OC1C(=O)CC(O)C2(O)C(C)C.
What is the InChIKey of 1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one?
The InChIKey is SLDBVVRXNSXQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5/c1-5-8-18-15-11(4)6-7-12(20)16(15)24-17(18)13(21)9-14(22)19(18,23)10(2)3/h6-7,10,14,17,20,22-23H,5,8-9H2,1-4H3.
What are the key properties of 1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one?
1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one has a molecular weight of 334.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trihydroxy-9-methyl-1-propan-2-yl-9b-propyl-3,4a-dihydro-2H-dibenzofuran-4-one is sourced from PubChem (CID 144887359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).