2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol

C18H24O2 — CID 177245709

IUPAC2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol
SMILESCCCc1cc(O)c2c(c1)OC1(C(C)C)C=C(C)CC21
InChIInChI=1S/C18H24O2/c1-5-6-13-8-15(19)17-14-7-12(4)10-18(14,11(2)3)20-16(17)9-13/h8-11,14,19H,5-7H2,1-4H3
InChIKeyZBNJFHJTFDDZBR-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.57
Rot. Bonds3

About 2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol

2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol (PubChem CID 177245709) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol.

Molecular Properties

Compound Name2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol
PubChem CID177245709
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol
SMILESCCCc1cc(O)c2c(c1)OC1(C(C)C)C=C(C)CC21
InChIInChI=1S/C18H24O2/c1-5-6-13-8-15(19)17-14-7-12(4)10-18(14,11(2)3)20-16(17)9-13/h8-11,14,19H,5-7H2,1-4H3
InChIKeyZBNJFHJTFDDZBR-UHFFFAOYSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol?
The IUPAC name of 2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol (CID 177245709) is 2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol.
What is the SMILES notation for 2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol?
The canonical SMILES for 2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol is CCCc1cc(O)c2c(c1)OC1(C(C)C)C=C(C)CC21.
What is the InChIKey of 2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol?
The InChIKey is ZBNJFHJTFDDZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-5-6-13-8-15(19)17-14-7-12(4)10-18(14,11(2)3)20-16(17)9-13/h8-11,14,19H,5-7H2,1-4H3.
What are the key properties of 2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol?
2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol has a molecular weight of 272.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3a-propan-2-yl-6-propyl-1,8b-dihydrocyclopenta[b][1]benzofuran-8-ol is sourced from PubChem (CID 177245709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).