1-(3-ethoxy-4-propoxyphenyl)propan-2-ol

C14H22O3 — CID 82161162

IUPAC1-(3-ethoxy-4-propoxyphenyl)propan-2-ol
SMILESCCCOc1ccc(CC(C)O)cc1OCC
InChIInChI=1S/C14H22O3/c1-4-8-17-13-7-6-12(9-11(3)15)10-14(13)16-5-2/h6-7,10-11,15H,4-5,8-9H2,1-3H3
InChIKeyRKZBECXWUHPOLC-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.80
Rot. Bonds7

About 1-(3-ethoxy-4-propoxyphenyl)propan-2-ol

1-(3-ethoxy-4-propoxyphenyl)propan-2-ol (PubChem CID 82161162) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-ethoxy-4-propoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-ethoxy-4-propoxyphenyl)propan-2-ol
PubChem CID82161162
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(3-ethoxy-4-propoxyphenyl)propan-2-ol
SMILESCCCOc1ccc(CC(C)O)cc1OCC
InChIInChI=1S/C14H22O3/c1-4-8-17-13-7-6-12(9-11(3)15)10-14(13)16-5-2/h6-7,10-11,15H,4-5,8-9H2,1-3H3
InChIKeyRKZBECXWUHPOLC-UHFFFAOYSA-N
XLogP2.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid
CID 170879715
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
2-(3-ethoxy-4-propoxyphenyl)acetate
CID 7139426
4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene
CID 83932021
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one
CID 83931996
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 29227521
2-(3-ethoxy-4-propoxyphenyl)acetaldehyde
CID 82362954
2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
CID 83931979
5-(3,4-dipropoxyphenyl)pentane-2,3-diol
CID 83932064
diethyl 2-[(3,4-diethoxyphenyl)methyl]propanedioate
CID 71574869

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-propoxyphenyl)propan-2-ol?
The IUPAC name of 1-(3-ethoxy-4-propoxyphenyl)propan-2-ol (CID 82161162) is 1-(3-ethoxy-4-propoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-ethoxy-4-propoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(3-ethoxy-4-propoxyphenyl)propan-2-ol is CCCOc1ccc(CC(C)O)cc1OCC.
What is the InChIKey of 1-(3-ethoxy-4-propoxyphenyl)propan-2-ol?
The InChIKey is RKZBECXWUHPOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-8-17-13-7-6-12(9-11(3)15)10-14(13)16-5-2/h6-7,10-11,15H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(3-ethoxy-4-propoxyphenyl)propan-2-ol?
1-(3-ethoxy-4-propoxyphenyl)propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-propoxyphenyl)propan-2-ol is sourced from PubChem (CID 82161162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).