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

C17H17IO2 — CID 107294086

IUPAC(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol
SMILESCC1(C)COc2ccc(C(O)c3ccc(I)cc3)cc21
InChIInChI=1S/C17H17IO2/c1-17(2)10-20-15-8-5-12(9-14(15)17)16(19)11-3-6-13(18)7-4-11/h3-9,16,19H,10H2,1-2H3
InChIKeyFTUCVLKKDYCRSR-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.04
Rot. Bonds2

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

(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol (PubChem CID 107294086) has the molecular formula C17H17IO2 and a molecular weight of 380.23 g/mol. Its IUPAC name is (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol.

Molecular Properties

Compound Name(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol
PubChem CID107294086
Molecular FormulaC17H17IO2
Molecular Weight380.23 g/mol
Exact Mass380.03
IUPAC Name(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol
SMILESCC1(C)COc2ccc(C(O)c3ccc(I)cc3)cc21
InChIInChI=1S/C17H17IO2/c1-17(2)10-20-15-8-5-12(9-14(15)17)16(19)11-3-6-13(18)7-4-11/h3-9,16,19H,10H2,1-2H3
InChIKeyFTUCVLKKDYCRSR-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294119
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 107293669
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol
CID 107294004
(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
cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294029
(2-bromo-3-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294068
5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294445
5-[chloro-(3,5-dichlorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294269
7-bicyclo[4.1.0]heptanyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294132
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478
5-[chloro-(3-chlorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294378

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol?
The IUPAC name of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol (CID 107294086) is (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol.
What is the SMILES notation for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol?
The canonical SMILES for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol is CC1(C)COc2ccc(C(O)c3ccc(I)cc3)cc21.
What is the InChIKey of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol?
The InChIKey is FTUCVLKKDYCRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO2/c1-17(2)10-20-15-8-5-12(9-14(15)17)16(19)11-3-6-13(18)7-4-11/h3-9,16,19H,10H2,1-2H3.
What are the key properties of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol?
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol has a molecular weight of 380.23 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol is sourced from PubChem (CID 107294086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).