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

C18H20O3 — CID 107294004

IUPAC(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)c1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C18H20O3/c1-18(2)11-21-16-9-8-12(10-14(16)18)17(19)13-6-4-5-7-15(13)20-3/h4-10,17,19H,11H2,1-3H3
InChIKeyKCJQIMHWEALYFM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.45
Rot. Bonds3

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

(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol (PubChem CID 107294004) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol
PubChem CID107294004
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)c1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C18H20O3/c1-18(2)11-21-16-9-8-12(10-14(16)18)17(19)13-6-4-5-7-15(13)20-3/h4-10,17,19H,11H2,1-3H3
InChIKeyKCJQIMHWEALYFM-UHFFFAOYSA-N
XLogP3.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol
CID 107294086
(2-bromo-3-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294068
(2,5-dichlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294050
(5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294047
(3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294119
6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61082603
(2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293441
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-iodophenyl)methanamine
CID 107293573
cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294029
(4-iodophenyl)-(2-methoxyphenyl)methanol
CID 114978781
[4-(difluoromethyl)phenyl]-(2-methoxyphenyl)methanol
CID 115525064
(4-fluoro-3-methylphenyl)-(2-methoxyphenyl)methanol
CID 60929843

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol?
The IUPAC name of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol (CID 107294004) is (3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol.
What is the SMILES notation for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol?
The canonical SMILES for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol is COc1ccccc1C(O)c1ccc2c(c1)C(C)(C)CO2.
What is the InChIKey of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol?
The InChIKey is KCJQIMHWEALYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-18(2)11-21-16-9-8-12(10-14(16)18)17(19)13-6-4-5-7-15(13)20-3/h4-10,17,19H,11H2,1-3H3.
What are the key properties of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol?
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol has a molecular weight of 284.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol is sourced from PubChem (CID 107294004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).