2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol

C10H14O2 — CID 163801969

IUPAC2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol
SMILESCC1(C)CC2=C(O1)C(O)=CCC2
InChIInChI=1S/C10H14O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h5,11H,3-4,6H2,1-2H3
InChIKeyNFTUQRRFNAVIPY-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.68
Rot. Bonds

About 2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol

2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol (PubChem CID 163801969) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol.

Molecular Properties

Compound Name2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol
PubChem CID163801969
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol
SMILESCC1(C)CC2=C(O1)C(O)=CCC2
InChIInChI=1S/C10H14O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h5,11H,3-4,6H2,1-2H3
InChIKeyNFTUQRRFNAVIPY-UHFFFAOYSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol?
The IUPAC name of 2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol (CID 163801969) is 2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol.
What is the SMILES notation for 2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol?
The canonical SMILES for 2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol is CC1(C)CC2=C(O1)C(O)=CCC2.
What is the InChIKey of 2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol?
The InChIKey is NFTUQRRFNAVIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h5,11H,3-4,6H2,1-2H3.
What are the key properties of 2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol?
2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol has a molecular weight of 166.22 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4,5-dihydro-3H-1-benzofuran-7-ol is sourced from PubChem (CID 163801969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).