3-[2-(2-methoxyethoxy)phenyl]butan-2-ol

C13H20O3 — CID 104662429

IUPAC3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
SMILESCOCCOc1ccccc1C(C)C(C)O
InChIInChI=1S/C13H20O3/c1-10(11(2)14)12-6-4-5-7-13(12)16-9-8-15-3/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyRXMQQQVYMWXFNB-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.20
Rot. Bonds6

About 3-[2-(2-methoxyethoxy)phenyl]butan-2-ol

3-[2-(2-methoxyethoxy)phenyl]butan-2-ol (PubChem CID 104662429) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
PubChem CID104662429
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
SMILESCOCCOc1ccccc1C(C)C(C)O
InChIInChI=1S/C13H20O3/c1-10(11(2)14)12-6-4-5-7-13(12)16-9-8-15-3/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyRXMQQQVYMWXFNB-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorobutan-2-yl)-2-(2-methoxyethoxy)benzene
CID 104662451
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798
1-[2-(2-methoxyethoxy)phenyl]-2-phenylethanol
CID 104658697
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-ol
CID 105125505
(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658593
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264
2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol
CID 116712323
1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine
CID 105035367
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
CID 113438261
2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104659576

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]butan-2-ol?
The IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]butan-2-ol (CID 104662429) is 3-[2-(2-methoxyethoxy)phenyl]butan-2-ol.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)phenyl]butan-2-ol?
The canonical SMILES for 3-[2-(2-methoxyethoxy)phenyl]butan-2-ol is COCCOc1ccccc1C(C)C(C)O.
What is the InChIKey of 3-[2-(2-methoxyethoxy)phenyl]butan-2-ol?
The InChIKey is RXMQQQVYMWXFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-10(11(2)14)12-6-4-5-7-13(12)16-9-8-15-3/h4-7,10-11,14H,8-9H2,1-3H3.
What are the key properties of 3-[2-(2-methoxyethoxy)phenyl]butan-2-ol?
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)phenyl]butan-2-ol is sourced from PubChem (CID 104662429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).