4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol

C14H22O3 — CID 66058011

IUPAC4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol
SMILESCCOCCC(CO)Cc1ccc(OC)cc1
InChIInChI=1S/C14H22O3/c1-3-17-9-8-13(11-15)10-12-4-6-14(16-2)7-5-12/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyLDRIOJDAJGNXDV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.27
Rot. Bonds8

About 4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol

4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol (PubChem CID 66058011) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol
PubChem CID66058011
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol
SMILESCCOCCC(CO)Cc1ccc(OC)cc1
InChIInChI=1S/C14H22O3/c1-3-17-9-8-13(11-15)10-12-4-6-14(16-2)7-5-12/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyLDRIOJDAJGNXDV-UHFFFAOYSA-N
XLogP2.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
4-ethoxy-1-(4-methoxyphenyl)butan-2-ol
CID 62606919
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516101
4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol
CID 66058003
4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol
CID 66058427
2-[(3-bromophenyl)methyl]-4-ethoxybutan-1-ol
CID 66058870
5-[(4-methoxyphenyl)methoxy]-2-[3-[(4-methoxyphenyl)methoxy]propyl]pentan-1-ol
CID 11025823
2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol
CID 24742721
(2S)-3-[4-(2-ethoxyethoxy)phenyl]-2-[(4-methoxyphenyl)methylamino]propan-1-ol
CID 171057812
(2R)-2-[(4-methoxyphenyl)methoxymethyl]hexan-1-ol
CID 101173431
2-[(4-methoxyphenyl)methyl]-4-propoxy-N-propylbutan-1-amine
CID 106456658

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol?
The IUPAC name of 4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol (CID 66058011) is 4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol.
What is the SMILES notation for 4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol?
The canonical SMILES for 4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol is CCOCCC(CO)Cc1ccc(OC)cc1.
What is the InChIKey of 4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol?
The InChIKey is LDRIOJDAJGNXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-17-9-8-13(11-15)10-12-4-6-14(16-2)7-5-12/h4-7,13,15H,3,8-11H2,1-2H3.
What are the key properties of 4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol?
4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol is sourced from PubChem (CID 66058011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).