4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol

C14H22O2 — CID 536443

IUPAC4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
SMILESC=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1
InChIInChI=1S/C14H22O2/c1-9(2)11-6-12-13(3,4)7-10(15)8-14(12,5)16-11/h6,10-11,15H,1,7-8H2,2-5H3
InChIKeyKYEPWRGEYIPIKL-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.83
Rot. Bonds1

About 4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol

4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol (PubChem CID 536443) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
PubChem CID536443
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
SMILESC=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1
InChIInChI=1S/C14H22O2/c1-9(2)11-6-12-13(3,4)7-10(15)8-14(12,5)16-11/h6,10-11,15H,1,7-8H2,2-5H3
InChIKeyKYEPWRGEYIPIKL-UHFFFAOYSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol?
The IUPAC name of 4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol (CID 536443) is 4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol.
What is the SMILES notation for 4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol?
The canonical SMILES for 4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol is C=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1.
What is the InChIKey of 4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol?
The InChIKey is KYEPWRGEYIPIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9(2)11-6-12-13(3,4)7-10(15)8-14(12,5)16-11/h6,10-11,15H,1,7-8H2,2-5H3.
What are the key properties of 4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol?
4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol has a molecular weight of 222.33 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7a-trimethyl-2-prop-1-en-2-yl-2,5,6,7-tetrahydro-1-benzofuran-6-ol is sourced from PubChem (CID 536443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).