1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol

C17H22O4 — CID 105094403

IUPAC1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol
SMILESCCOc1ccc(C(O)CCc2ccco2)cc1OCC
InChIInChI=1S/C17H22O4/c1-3-19-16-10-7-13(12-17(16)20-4-2)15(18)9-8-14-6-5-11-21-14/h5-7,10-12,15,18H,3-4,8-9H2,1-2H3
InChIKeyGTMQVPCKEBGPDK-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.74
Rot. Bonds8

About 1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol

1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol (PubChem CID 105094403) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol
PubChem CID105094403
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol
SMILESCCOc1ccc(C(O)CCc2ccco2)cc1OCC
InChIInChI=1S/C17H22O4/c1-3-19-16-10-7-13(12-17(16)20-4-2)15(18)9-8-14-6-5-11-21-14/h5-7,10-12,15,18H,3-4,8-9H2,1-2H3
InChIKeyGTMQVPCKEBGPDK-UHFFFAOYSA-N
XLogP3.74
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine
CID 105029319
[1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331455
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
3-(furan-2-yl)-1-(4-propylphenyl)propan-1-ol
CID 105095239
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-ol
CID 105094003
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
CID 62789961
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
1-(2,3-dihydro-1H-inden-5-yl)-3-(furan-2-yl)propan-1-ol
CID 114195082
1-(3-cyclopropyloxyphenyl)-3-(furan-2-yl)propan-1-ol
CID 105131514
3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43729965
6-(3,4-diethoxyphenyl)-6-hydroxyhexanoic acid
CID 43447097

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol (CID 105094403) is 1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol is CCOc1ccc(C(O)CCc2ccco2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol?
The InChIKey is GTMQVPCKEBGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c1-3-19-16-10-7-13(12-17(16)20-4-2)15(18)9-8-14-6-5-11-21-14/h5-7,10-12,15,18H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol?
1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol has a molecular weight of 290.36 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol is sourced from PubChem (CID 105094403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).