6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol

C15H18O2 — CID 79332091

IUPAC6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol
SMILESCC1Cc2cc(C3(O)C4CCCC43)ccc2O1
InChIInChI=1S/C15H18O2/c1-9-7-10-8-11(5-6-14(10)17-9)15(16)12-3-2-4-13(12)15/h5-6,8-9,12-13,16H,2-4,7H2,1H3
InChIKeyWWWVUHVUYGCULM-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.63
Rot. Bonds1

About 6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol

6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol (PubChem CID 79332091) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol
PubChem CID79332091
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol
SMILESCC1Cc2cc(C3(O)C4CCCC43)ccc2O1
InChIInChI=1S/C15H18O2/c1-9-7-10-8-11(5-6-14(10)17-9)15(16)12-3-2-4-13(12)15/h5-6,8-9,12-13,16H,2-4,7H2,1H3
InChIKeyWWWVUHVUYGCULM-UHFFFAOYSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol?
The IUPAC name of 6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol (CID 79332091) is 6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for 6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for 6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol is CC1Cc2cc(C3(O)C4CCCC43)ccc2O1.
What is the InChIKey of 6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol?
The InChIKey is WWWVUHVUYGCULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-9-7-10-8-11(5-6-14(10)17-9)15(16)12-3-2-4-13(12)15/h5-6,8-9,12-13,16H,2-4,7H2,1H3.
What are the key properties of 6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol?
6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol has a molecular weight of 230.31 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 79332091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).