(1S)-1-(3,4-diethoxyphenyl)propan-1-ol

C13H20O3 — CID 82758130

IUPAC(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
SMILESCCOc1ccc([C@@H](O)CC)cc1OCC
InChIInChI=1S/C13H20O3/c1-4-11(14)10-7-8-12(15-5-2)13(9-10)16-6-3/h7-9,11,14H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyKYWICCDRRFWFBT-NSHDSACASA-N
MW224.30 g/mol
LogP2.93
Rot. Bonds6

About (1S)-1-(3,4-diethoxyphenyl)propan-1-ol

(1S)-1-(3,4-diethoxyphenyl)propan-1-ol (PubChem CID 82758130) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (1S)-1-(3,4-diethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
PubChem CID82758130
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
SMILESCCOc1ccc([C@@H](O)CC)cc1OCC
InChIInChI=1S/C13H20O3/c1-4-11(14)10-7-8-12(15-5-2)13(9-10)16-6-3/h7-9,11,14H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyKYWICCDRRFWFBT-NSHDSACASA-N
XLogP2.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
CID 62789961
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
CID 116711202
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
6-(3,4-diethoxyphenyl)-6-hydroxyhexanoic acid
CID 43447097
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
3-chloro-1-(3,4-diethoxyphenyl)propane-1,2-diol
CID 171863308
(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
CID 62790303
1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol
CID 82315713
2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid
CID 82315710

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-diethoxyphenyl)propan-1-ol?
The IUPAC name of (1S)-1-(3,4-diethoxyphenyl)propan-1-ol (CID 82758130) is (1S)-1-(3,4-diethoxyphenyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(3,4-diethoxyphenyl)propan-1-ol?
The canonical SMILES for (1S)-1-(3,4-diethoxyphenyl)propan-1-ol is CCOc1ccc([C@@H](O)CC)cc1OCC.
What is the InChIKey of (1S)-1-(3,4-diethoxyphenyl)propan-1-ol?
The InChIKey is KYWICCDRRFWFBT-NSHDSACASA-N. The full InChI is InChI=1S/C13H20O3/c1-4-11(14)10-7-8-12(15-5-2)13(9-10)16-6-3/h7-9,11,14H,4-6H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-(3,4-diethoxyphenyl)propan-1-ol?
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-diethoxyphenyl)propan-1-ol is sourced from PubChem (CID 82758130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).