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

C15H16O2S — CID 63019737

IUPAC1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2ccc3c(c2)COC3)s1
InChIInChI=1S/C15H16O2S/c1-2-13-5-6-14(18-13)15(16)10-3-4-11-8-17-9-12(11)7-10/h3-7,15-16H,2,8-9H2,1H3
InChIKeyAOCRYZLLWQEZFV-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.42
Rot. Bonds3

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

1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol (PubChem CID 63019737) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol
PubChem CID63019737
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2ccc3c(c2)COC3)s1
InChIInChI=1S/C15H16O2S/c1-2-13-5-6-14(18-13)15(16)10-3-4-11-8-17-9-12(11)7-10/h3-7,15-16H,2,8-9H2,1H3
InChIKeyAOCRYZLLWQEZFV-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol (CID 63019737) is 1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol is CCc1ccc(C(O)c2ccc3c(c2)COC3)s1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol?
The InChIKey is AOCRYZLLWQEZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-2-13-5-6-14(18-13)15(16)10-3-4-11-8-17-9-12(11)7-10/h3-7,15-16H,2,8-9H2,1H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol?
1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol has a molecular weight of 260.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 63019737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).