1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol

C18H14O2S — CID 115836357

IUPAC1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C18H14O2S/c1-11-6-7-14-13(8-11)9-15(20-14)18(19)17-10-12-4-2-3-5-16(12)21-17/h2-10,18-19H,1H3
InChIKeyYYHFAUCEIZXRKU-UHFFFAOYSA-N
MW294.38 g/mol
LogP5.04
Rot. Bonds2

About 1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol

1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 115836357) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID115836357
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Name1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C18H14O2S/c1-11-6-7-14-13(8-11)9-15(20-14)18(19)17-10-12-4-2-3-5-16(12)21-17/h2-10,18-19H,1H3
InChIKeyYYHFAUCEIZXRKU-UHFFFAOYSA-N
XLogP5.04
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.38
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 102829575
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene
CID 162107296
(4-methoxythiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836341
1-benzothiophen-2-yl-(5-bromo-1-benzofuran-2-yl)methanamine
CID 114910339
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol
CID 115807031
[1-benzofuran-2-yl(1-benzothiophen-2-yl)methyl]hydrazine
CID 105337766
(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723556
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
furan-3-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723617
1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63928114

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of 1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol (CID 115836357) is 1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for 1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for 1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol is Cc1ccc2oc(C(O)c3cc4ccccc4s3)cc2c1.
What is the InChIKey of 1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is YYHFAUCEIZXRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2S/c1-11-6-7-14-13(8-11)9-15(20-14)18(19)17-10-12-4-2-3-5-16(12)21-17/h2-10,18-19H,1H3.
What are the key properties of 1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol?
1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 294.38 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 115836357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).