3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol

C17H18O2 — CID 15562711

IUPAC3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol
SMILESCc1ccccc1C1(O)OC(C)(C)c2ccccc21
InChIInChI=1S/C17H18O2/c1-12-8-4-5-9-13(12)17(18)15-11-7-6-10-14(15)16(2,3)19-17/h4-11,18H,1-3H3
InChIKeyMQWLXEIBXZBILC-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.45
Rot. Bonds1

About 3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol

3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol (PubChem CID 15562711) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol
PubChem CID15562711
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol
SMILESCc1ccccc1C1(O)OC(C)(C)c2ccccc21
InChIInChI=1S/C17H18O2/c1-12-8-4-5-9-13(12)17(18)15-11-7-6-10-14(15)16(2,3)19-17/h4-11,18H,1-3H3
InChIKeyMQWLXEIBXZBILC-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol?
The IUPAC name of 3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol (CID 15562711) is 3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol is Cc1ccccc1C1(O)OC(C)(C)c2ccccc21.
What is the InChIKey of 3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol?
The InChIKey is MQWLXEIBXZBILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-8-4-5-9-13(12)17(18)15-11-7-6-10-14(15)16(2,3)19-17/h4-11,18H,1-3H3.
What are the key properties of 3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol?
3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol is sourced from PubChem (CID 15562711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).