1-(2,4-dipropoxyphenyl)ethanol

C14H22O3 — CID 82263776

IUPAC1-(2,4-dipropoxyphenyl)ethanol
SMILESCCCOc1ccc(C(C)O)c(OCCC)c1
InChIInChI=1S/C14H22O3/c1-4-8-16-12-6-7-13(11(3)15)14(10-12)17-9-5-2/h6-7,10-11,15H,4-5,8-9H2,1-3H3
InChIKeyPBSHBWZZMADAIS-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.32
Rot. Bonds7

About 1-(2,4-dipropoxyphenyl)ethanol

1-(2,4-dipropoxyphenyl)ethanol (PubChem CID 82263776) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2,4-dipropoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-dipropoxyphenyl)ethanol
PubChem CID82263776
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(2,4-dipropoxyphenyl)ethanol
SMILESCCCOc1ccc(C(C)O)c(OCCC)c1
InChIInChI=1S/C14H22O3/c1-4-8-16-12-6-7-13(11(3)15)14(10-12)17-9-5-2/h6-7,10-11,15H,4-5,8-9H2,1-3H3
InChIKeyPBSHBWZZMADAIS-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
1-(2,4-dipropoxyphenyl)butan-1-amine
CID 82551376
1-(2-propoxyphenyl)ethanol
CID 43503976
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dipropoxyphenyl)ethanol?
The IUPAC name of 1-(2,4-dipropoxyphenyl)ethanol (CID 82263776) is 1-(2,4-dipropoxyphenyl)ethanol.
What is the SMILES notation for 1-(2,4-dipropoxyphenyl)ethanol?
The canonical SMILES for 1-(2,4-dipropoxyphenyl)ethanol is CCCOc1ccc(C(C)O)c(OCCC)c1.
What is the InChIKey of 1-(2,4-dipropoxyphenyl)ethanol?
The InChIKey is PBSHBWZZMADAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-8-16-12-6-7-13(11(3)15)14(10-12)17-9-5-2/h6-7,10-11,15H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2,4-dipropoxyphenyl)ethanol?
1-(2,4-dipropoxyphenyl)ethanol has a molecular weight of 238.33 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dipropoxyphenyl)ethanol is sourced from PubChem (CID 82263776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).