1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol

C14H18O3S — CID 101472841

IUPAC1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1occc1C(O)c1ccsc1
InChIInChI=1S/C14H18O3S/c1-14(2,3)13(16)12-10(4-6-17-12)11(15)9-5-7-18-8-9/h4-8,11,13,15-16H,1-3H3
InChIKeyAMJCJUMKTUEORF-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.50
Rot. Bonds3

About 1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol

1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol (PubChem CID 101472841) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol
PubChem CID101472841
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1occc1C(O)c1ccsc1
InChIInChI=1S/C14H18O3S/c1-14(2,3)13(16)12-10(4-6-17-12)11(15)9-5-7-18-8-9/h4-8,11,13,15-16H,1-3H3
InChIKeyAMJCJUMKTUEORF-UHFFFAOYSA-N
XLogP3.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(2-propan-2-ylphenyl)-thiophen-3-ylmethanol
CID 97293180
2-[hydroxy(thiophen-3-yl)methyl]phenol
CID 155686195
(R)-1-benzofuran-3-yl(thiophen-3-yl)methanol
CID 155933737
(R)-furan-2-yl(thiophen-3-yl)methanol
CID 95256698
(R)-(2-methoxyphenyl)-thiophen-3-ylmethanol
CID 93312294
(2-methylthiophen-3-yl)-thiophen-3-ylmethanol
CID 102829147
(2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol
CID 105102734
[2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol
CID 61087925
thiophen-3-yl-(4-trimethylsilylphenyl)methanol
CID 166444858
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
3-(3,3-dimethylbutan-2-yl)thiophene;ethane
CID 143105363

Frequently Asked Questions

What is the IUPAC name of 1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol (CID 101472841) is 1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1occc1C(O)c1ccsc1.
What is the InChIKey of 1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is AMJCJUMKTUEORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c1-14(2,3)13(16)12-10(4-6-17-12)11(15)9-5-7-18-8-9/h4-8,11,13,15-16H,1-3H3.
What are the key properties of 1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol?
1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[hydroxy(thiophen-3-yl)methyl]furan-2-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 101472841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).