(3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol

C14H13BrO2S — CID 65278850

IUPAC(3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCc1cc(Br)c(C(O)c2ccc3c(c2)CCO3)s1
InChIInChI=1S/C14H13BrO2S/c1-8-6-11(15)14(18-8)13(16)10-2-3-12-9(7-10)4-5-17-12/h2-3,6-7,13,16H,4-5H2,1H3
InChIKeyRDSBPUMECJBXOU-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.84
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol

(3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 65278850) has the molecular formula C14H13BrO2S and a molecular weight of 325.23 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID65278850
Molecular FormulaC14H13BrO2S
Molecular Weight325.23 g/mol
Exact Mass323.98
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCc1cc(Br)c(C(O)c2ccc3c(c2)CCO3)s1
InChIInChI=1S/C14H13BrO2S/c1-8-6-11(15)14(18-8)13(16)10-2-3-12-9(7-10)4-5-17-12/h2-3,6-7,13,16H,4-5H2,1H3
InChIKeyRDSBPUMECJBXOU-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)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

5-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 65278298
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
2,3-dihydro-1-benzofuran-5-yl-(3-methylphenyl)methanol
CID 61100251
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171
2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
CID 61100080
(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 114560436
(3-bromo-5-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 65278704
2,3-dihydro-1-benzofuran-5-yl-[4-(methoxymethyl)phenyl]methanol
CID 104542108
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 62199956
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
CID 66039061
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (CID 65278850) is (3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is Cc1cc(Br)c(C(O)c2ccc3c(c2)CCO3)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is RDSBPUMECJBXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2S/c1-8-6-11(15)14(18-8)13(16)10-2-3-12-9(7-10)4-5-17-12/h2-3,6-7,13,16H,4-5H2,1H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
(3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 325.23 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 65278850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).