1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol

C16H20O3 — CID 115803168

IUPAC1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H20O3/c1-11-10-15(12(2)19-11)16(17)9-6-13-4-7-14(18-3)8-5-13/h4-5,7-8,10,16-17H,6,9H2,1-3H3
InChIKeyTXMNQCJMFWBLII-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.57
Rot. Bonds5

About 1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol

1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 115803168) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
PubChem CID115803168
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H20O3/c1-11-10-15(12(2)19-11)16(17)9-6-13-4-7-14(18-3)8-5-13/h4-5,7-8,10,16-17H,6,9H2,1-3H3
InChIKeyTXMNQCJMFWBLII-UHFFFAOYSA-N
XLogP3.57
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115791080
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CID 102441860
1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol
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1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107516243
1-(2,5-dimethylfuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027962
1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107103367
1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107985716
1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 65447175
1-(2,5-dimethylfuran-3-yl)pentan-1-ol
CID 115783226
3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115803243
1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782163
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CID 114980726

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol (CID 115803168) is 1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)c2cc(C)oc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is TXMNQCJMFWBLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-11-10-15(12(2)19-11)16(17)9-6-13-4-7-14(18-3)8-5-13/h4-5,7-8,10,16-17H,6,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol?
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 260.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 115803168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).