10b,10c-dihydropyren-1-ol;ethane;propane

C21H26O — CID 90732805

IUPAC10b,10c-dihydropyren-1-ol;ethane;propane
SMILESCC.CCC.OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2C34
InChIInChI=1S/C16H12O.C3H8.C2H6/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;1-3-2;1-2/h1-9,15-17H;3H2,1-2H3;1-2H3
InChIKeyPGWGBJXCLKGSSH-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.98
Rot. Bonds

About 10b,10c-dihydropyren-1-ol;ethane;propane

10b,10c-dihydropyren-1-ol;ethane;propane (PubChem CID 90732805) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is 10b,10c-dihydropyren-1-ol;ethane;propane.

Molecular Properties

Compound Name10b,10c-dihydropyren-1-ol;ethane;propane
PubChem CID90732805
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name10b,10c-dihydropyren-1-ol;ethane;propane
SMILESCC.CCC.OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2C34
InChIInChI=1S/C16H12O.C3H8.C2H6/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;1-3-2;1-2/h1-9,15-17H;3H2,1-2H3;1-2H3
InChIKeyPGWGBJXCLKGSSH-UHFFFAOYSA-N
XLogP5.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10b,10c-dihydropyren-1-ol;ethane;propane?
The IUPAC name of 10b,10c-dihydropyren-1-ol;ethane;propane (CID 90732805) is 10b,10c-dihydropyren-1-ol;ethane;propane.
What is the SMILES notation for 10b,10c-dihydropyren-1-ol;ethane;propane?
The canonical SMILES for 10b,10c-dihydropyren-1-ol;ethane;propane is CC.CCC.OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2C34.
What is the InChIKey of 10b,10c-dihydropyren-1-ol;ethane;propane?
The InChIKey is PGWGBJXCLKGSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O.C3H8.C2H6/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;1-3-2;1-2/h1-9,15-17H;3H2,1-2H3;1-2H3.
What are the key properties of 10b,10c-dihydropyren-1-ol;ethane;propane?
10b,10c-dihydropyren-1-ol;ethane;propane has a molecular weight of 294.44 g/mol, XLogP of 5.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10b,10c-dihydropyren-1-ol;ethane;propane is sourced from PubChem (CID 90732805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).