2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol

C16H20O3 — CID 114723809

IUPAC2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol
SMILESCc1cccc2cc(C3(O)CCOC(C)(C)C3)oc12
InChIInChI=1S/C16H20O3/c1-11-5-4-6-12-9-13(19-14(11)12)16(17)7-8-18-15(2,3)10-16/h4-6,9,17H,7-8,10H2,1-3H3
InChIKeyOQZUVDUBFZWQBJ-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.52
Rot. Bonds1

About 2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol

2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol (PubChem CID 114723809) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol
PubChem CID114723809
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol
SMILESCc1cccc2cc(C3(O)CCOC(C)(C)C3)oc12
InChIInChI=1S/C16H20O3/c1-11-5-4-6-12-9-13(19-14(11)12)16(17)7-8-18-15(2,3)10-16/h4-6,9,17H,7-8,10H2,1-3H3
InChIKeyOQZUVDUBFZWQBJ-UHFFFAOYSA-N
XLogP3.52
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one
CID 114724058
8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol
CID 114819752
2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol
CID 114722939
3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114722876
2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114724391
1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol
CID 114724418
1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
CID 114735091
2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114723887
2,2-dimethyl-4-quinolin-6-yloxan-4-ol
CID 81215986
8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114724054
(7-methyl-1-benzofuran-2-yl)-(1-methylcyclopentyl)methanol
CID 115836488
4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol
CID 114723797

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol?
The IUPAC name of 2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol (CID 114723809) is 2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol.
What is the SMILES notation for 2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol?
The canonical SMILES for 2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol is Cc1cccc2cc(C3(O)CCOC(C)(C)C3)oc12.
What is the InChIKey of 2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol?
The InChIKey is OQZUVDUBFZWQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-11-5-4-6-12-9-13(19-14(11)12)16(17)7-8-18-15(2,3)10-16/h4-6,9,17H,7-8,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol?
2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol has a molecular weight of 260.33 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol is sourced from PubChem (CID 114723809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).