2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan

C17H16O2S — CID 10016739

IUPAC2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan
SMILESCOCc1cc(Cc2ccccc2)c(-c2ccco2)s1
InChIInChI=1S/C17H16O2S/c1-18-12-15-11-14(10-13-6-3-2-4-7-13)17(20-15)16-8-5-9-19-16/h2-9,11H,10,12H2,1H3
InChIKeyUUASPFCSCWVNOF-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.75
Rot. Bonds5

About 2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan

2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan (PubChem CID 10016739) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan.

Molecular Properties

Compound Name2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan
PubChem CID10016739
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan
SMILESCOCc1cc(Cc2ccccc2)c(-c2ccco2)s1
InChIInChI=1S/C17H16O2S/c1-18-12-15-11-14(10-13-6-3-2-4-7-13)17(20-15)16-8-5-9-19-16/h2-9,11H,10,12H2,1H3
InChIKeyUUASPFCSCWVNOF-UHFFFAOYSA-N
XLogP4.75
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2858731
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CID 118732208
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CID 2797800
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CID 2739709
CID 2739709
CID 2999937
CID 2999937
CID 5706931
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CID 25147699
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CID 44578761
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CID 90645570
CID 90645570

Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan?
The IUPAC name of 2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan (CID 10016739) is 2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan.
What is the SMILES notation for 2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan?
The canonical SMILES for 2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan is COCc1cc(Cc2ccccc2)c(-c2ccco2)s1.
What is the InChIKey of 2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan?
The InChIKey is UUASPFCSCWVNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2S/c1-18-12-15-11-14(10-13-6-3-2-4-7-13)17(20-15)16-8-5-9-19-16/h2-9,11H,10,12H2,1H3.
What are the key properties of 2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan?
2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan has a molecular weight of 284.38 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-5-(methoxymethyl)thiophen-2-yl]furan is sourced from PubChem (CID 10016739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).