[5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol

C14H16O2S — CID 79991287

IUPAC[5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1ccc(C2CC2C)o1
InChIInChI=1S/C14H16O2S/c1-8-5-6-17-14(8)13(15)12-4-3-11(16-12)10-7-9(10)2/h3-6,9-10,13,15H,7H2,1-2H3
InChIKeyNAXNXRRVIAFVJT-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.85
Rot. Bonds3

About [5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol

[5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol (PubChem CID 79991287) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is [5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name[5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol
PubChem CID79991287
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name[5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1ccc(C2CC2C)o1
InChIInChI=1S/C14H16O2S/c1-8-5-6-17-14(8)13(15)12-4-3-11(16-12)10-7-9(10)2/h3-6,9-10,13,15H,7H2,1-2H3
InChIKeyNAXNXRRVIAFVJT-UHFFFAOYSA-N
XLogP3.85
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol
CID 103432519
(5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol
CID 114723550
cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol
CID 106651031
2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol
CID 79445931
4-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]pentan-1-ol
CID 65148398
(4,5-dibromofuran-2-yl)-(3-methylthiophen-2-yl)methanol
CID 79990863
(3-methoxyphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol
CID 63895864
[5-(2-methylcyclopropyl)furan-2-yl]-(oxan-4-yl)methanol
CID 63936262
3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol
CID 79137878
(2-ethylcyclohexyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol
CID 63893569
(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol
CID 64985208
(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol
CID 61101702

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol?
The IUPAC name of [5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol (CID 79991287) is [5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for [5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for [5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)c1ccc(C2CC2C)o1.
What is the InChIKey of [5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol?
The InChIKey is NAXNXRRVIAFVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c1-8-5-6-17-14(8)13(15)12-4-3-11(16-12)10-7-9(10)2/h3-6,9-10,13,15H,7H2,1-2H3.
What are the key properties of [5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol?
[5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol has a molecular weight of 248.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 79991287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).