(5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol

C15H18O3 — CID 114727016

IUPAC(5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol
SMILESCc1ccc2oc(C(O)C3(C)CCCO3)cc2c1
InChIInChI=1S/C15H18O3/c1-10-4-5-12-11(8-10)9-13(18-12)14(16)15(2)6-3-7-17-15/h4-5,8-9,14,16H,3,6-7H2,1-2H3
InChIKeyLCCJORLOBVMPSO-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.34
Rot. Bonds2

About (5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol

(5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol (PubChem CID 114727016) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol
PubChem CID114727016
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol
SMILESCc1ccc2oc(C(O)C3(C)CCCO3)cc2c1
InChIInChI=1S/C15H18O3/c1-10-4-5-12-11(8-10)9-13(18-12)14(16)15(2)6-3-7-17-15/h4-5,8-9,14,16H,3,6-7H2,1-2H3
InChIKeyLCCJORLOBVMPSO-UHFFFAOYSA-N
XLogP3.34
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 107192952
3-methyl-1-(5-methyl-1-benzofuran-2-yl)but-2-en-1-ol
CID 105110231
(5-methyl-1-benzofuran-2-yl)-(oxan-4-yl)methanol
CID 114723696
(7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol
CID 114727098
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114730060
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114
1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114731419
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
(4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114731435
1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836405
[(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methyl]hydrazine
CID 105256316
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol?
The IUPAC name of (5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol (CID 114727016) is (5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol.
What is the SMILES notation for (5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol?
The canonical SMILES for (5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol is Cc1ccc2oc(C(O)C3(C)CCCO3)cc2c1.
What is the InChIKey of (5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol?
The InChIKey is LCCJORLOBVMPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-10-4-5-12-11(8-10)9-13(18-12)14(16)15(2)6-3-7-17-15/h4-5,8-9,14,16H,3,6-7H2,1-2H3.
What are the key properties of (5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol?
(5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol has a molecular weight of 246.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol is sourced from PubChem (CID 114727016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).