1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol

C13H20O4 — CID 83950833

IUPAC1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
SMILESCCOc1c(OC)cc(C(O)CC)cc1OC
InChIInChI=1S/C13H20O4/c1-5-10(14)9-7-11(15-3)13(17-6-2)12(8-9)16-4/h7-8,10,14H,5-6H2,1-4H3
InChIKeyKCQNLEGQKKZMMK-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.55
Rot. Bonds6

About 1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol

1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol (PubChem CID 83950833) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
PubChem CID83950833
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
SMILESCCOc1c(OC)cc(C(O)CC)cc1OC
InChIInChI=1S/C13H20O4/c1-5-10(14)9-7-11(15-3)13(17-6-2)12(8-9)16-4/h7-8,10,14H,5-6H2,1-4H3
InChIKeyKCQNLEGQKKZMMK-UHFFFAOYSA-N
XLogP2.55
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol
CID 134831013
1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
CID 82265613
3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 170874761
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol
CID 79566976
2-sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanol
CID 116830062
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
CID 43516810
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol
CID 115823357
1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine
CID 60907779

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol (CID 83950833) is 1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol is CCOc1c(OC)cc(C(O)CC)cc1OC.
What is the InChIKey of 1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol?
The InChIKey is KCQNLEGQKKZMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-5-10(14)9-7-11(15-3)13(17-6-2)12(8-9)16-4/h7-8,10,14H,5-6H2,1-4H3.
What are the key properties of 1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol?
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol has a molecular weight of 240.30 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 83950833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).