2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol

C15H18O2S — CID 66060150

IUPAC2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol
SMILESCOc1cccc(CC(CO)Cc2ccsc2)c1
InChIInChI=1S/C15H18O2S/c1-17-15-4-2-3-12(9-15)7-14(10-16)8-13-5-6-18-11-13/h2-6,9,11,14,16H,7-8,10H2,1H3
InChIKeyPXHNMBLTQLDDBF-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.15
Rot. Bonds6

About 2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol

2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol (PubChem CID 66060150) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol
PubChem CID66060150
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol
SMILESCOc1cccc(CC(CO)Cc2ccsc2)c1
InChIInChI=1S/C15H18O2S/c1-17-15-4-2-3-12(9-15)7-14(10-16)8-13-5-6-18-11-13/h2-6,9,11,14,16H,7-8,10H2,1H3
InChIKeyPXHNMBLTQLDDBF-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol
CID 66059930
2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66059493
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propan-1-ol
CID 66058670
2-[(3-methoxyphenyl)methyl]octan-1-ol
CID 66058454
2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059508
2-(thiophen-3-ylmethyl)butan-1-ol
CID 21301482
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol
CID 113474719
2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66060151
2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059296
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 61065390

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol (CID 66060150) is 2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol is COc1cccc(CC(CO)Cc2ccsc2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol?
The InChIKey is PXHNMBLTQLDDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c1-17-15-4-2-3-12(9-15)7-14(10-16)8-13-5-6-18-11-13/h2-6,9,11,14,16H,7-8,10H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol?
2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol has a molecular weight of 262.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 66060150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).