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'}

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

(6aR,8S,10aR)-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,8-diol
CID 162657405
(6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol
CID 15114763
9-methyl-12-propan-2-ylidene-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol
CID 172875424
(6aR,10aR)-6-methyl-3-propyl-6,9-bis(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 167537854
9-methyl-5-pentyl-12-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-3-ol
CID 169438486
2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol
CID 118325055
(6aR,10S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromene-1,10-diol
CID 102506268
3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 78411013
6,9-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,6-diol
CID 169258963
(6aS,10aS)-3-hexyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 155318981
2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-5-propylbenzene-1,3-diol
CID 139494847
(1R,14R)-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol
CID 70862022

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).