4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol

C16H16O2 — CID 174712977

IUPAC4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol
SMILESCC1(C)OCc2ccc(-c3ccc(O)cc3)cc21
InChIInChI=1S/C16H16O2/c1-16(2)15-9-12(3-4-13(15)10-18-16)11-5-7-14(17)8-6-11/h3-9,17H,10H2,1-2H3
InChIKeyVPJZPBYZRFGEPP-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.82
Rot. Bonds1

About 4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol

4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol (PubChem CID 174712977) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol.

Molecular Properties

Compound Name4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol
PubChem CID174712977
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol
SMILESCC1(C)OCc2ccc(-c3ccc(O)cc3)cc21
InChIInChI=1S/C16H16O2/c1-16(2)15-9-12(3-4-13(15)10-18-16)11-5-7-14(17)8-6-11/h3-9,17H,10H2,1-2H3
InChIKeyVPJZPBYZRFGEPP-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol?
The IUPAC name of 4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol (CID 174712977) is 4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol.
What is the SMILES notation for 4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol?
The canonical SMILES for 4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol is CC1(C)OCc2ccc(-c3ccc(O)cc3)cc21.
What is the InChIKey of 4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol?
The InChIKey is VPJZPBYZRFGEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-16(2)15-9-12(3-4-13(15)10-18-16)11-5-7-14(17)8-6-11/h3-9,17H,10H2,1-2H3.
What are the key properties of 4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol?
4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol has a molecular weight of 240.30 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol is sourced from PubChem (CID 174712977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).