1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol

C14H16O2S — CID 115496016

IUPAC1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C14H16O2S/c1-11(15)9-12-4-6-13(7-5-12)16-10-14-3-2-8-17-14/h2-8,11,15H,9-10H2,1H3
InChIKeyNFFLFRDYUMKWEX-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.25
Rot. Bonds5

About 1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol

1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol (PubChem CID 115496016) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
PubChem CID115496016
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C14H16O2S/c1-11(15)9-12-4-6-13(7-5-12)16-10-14-3-2-8-17-14/h2-8,11,15H,9-10H2,1H3
InChIKeyNFFLFRDYUMKWEX-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545
methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827460
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
[(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827012
1-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-ol
CID 115496013
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114
2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
CID 24703344
1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 43504299
(1S)-1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78933301
(1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 107720186

Frequently Asked Questions

What is the IUPAC name of 1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol?
The IUPAC name of 1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol (CID 115496016) is 1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol is CC(O)Cc1ccc(OCc2cccs2)cc1.
What is the InChIKey of 1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol?
The InChIKey is NFFLFRDYUMKWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c1-11(15)9-12-4-6-13(7-5-12)16-10-14-3-2-8-17-14/h2-8,11,15H,9-10H2,1H3.
What are the key properties of 1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol?
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol has a molecular weight of 248.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 115496016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).