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

C16H16O2 — CID 174712978

IUPAC2-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol
SMILESCC1(C)OCc2ccc(-c3ccccc3O)cc21
InChIInChI=1S/C16H16O2/c1-16(2)14-9-11(7-8-12(14)10-18-16)13-5-3-4-6-15(13)17/h3-9,17H,10H2,1-2H3
InChIKeyDDHKSTMUOTUASZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.82
Rot. Bonds1

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

2-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol (PubChem CID 174712978) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol.

Molecular Properties

Compound Name2-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol
PubChem CID174712978
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol
SMILESCC1(C)OCc2ccc(-c3ccccc3O)cc21
InChIInChI=1S/C16H16O2/c1-16(2)14-9-11(7-8-12(14)10-18-16)13-5-3-4-6-15(13)17/h3-9,17H,10H2,1-2H3
InChIKeyDDHKSTMUOTUASZ-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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Related Compounds

4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol
CID 174712977
3,3-dimethyl-1H-2-benzofuran-5-ol
CID 57076460
3,3-dimethyl-1H-2-benzofuran-5-amine
CID 143173521
2-(6,9,9-trimethylfluoren-3-yl)phenol
CID 59317538
5-(2-hydroxyphenyl)-2-methylphenol
CID 53218780
2-[4-[4-(2-hydroxyphenyl)phenyl]phenyl]phenol
CID 122655811
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
6-(2-hydroxyphenyl)naphthalen-2-ol
CID 11368353
1,1-dimethyl-3H-2-benzofuran-5-carboxylic acid
CID 59509474
2-[3-(4-methylphenyl)phenyl]phenol
CID 123237634
2-(3-methylphenyl)phenol
CID 11206198
2-(3-amino-4-bromophenyl)phenol
CID 115049178

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol?
The IUPAC name of 2-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol (CID 174712978) is 2-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol.
What is the SMILES notation for 2-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol?
The canonical SMILES for 2-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol is CC1(C)OCc2ccc(-c3ccccc3O)cc21.
What is the InChIKey of 2-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol?
The InChIKey is DDHKSTMUOTUASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-16(2)14-9-11(7-8-12(14)10-18-16)13-5-3-4-6-15(13)17/h3-9,17H,10H2,1-2H3.
What are the key properties of 2-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol?
2-(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 2-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol is sourced from PubChem (CID 174712978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).