4-methoxy-2-phenylbutan-1-ol

C11H16O2 — CID 542524

IUPAC4-methoxy-2-phenylbutan-1-ol
SMILESCOCCC(CO)c1ccccc1
InChIInChI=1S/C11H16O2/c1-13-8-7-11(9-12)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKeyXLIVVTOKLJBFIF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.80
Rot. Bonds5

About 4-methoxy-2-phenylbutan-1-ol

4-methoxy-2-phenylbutan-1-ol (PubChem CID 542524) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methoxy-2-phenylbutan-1-ol.

Molecular Properties

Compound Name4-methoxy-2-phenylbutan-1-ol
PubChem CID542524
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-methoxy-2-phenylbutan-1-ol
SMILESCOCCC(CO)c1ccccc1
InChIInChI=1S/C11H16O2/c1-13-8-7-11(9-12)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKeyXLIVVTOKLJBFIF-UHFFFAOYSA-N
XLogP1.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-phenylbutan-1-ol?
The IUPAC name of 4-methoxy-2-phenylbutan-1-ol (CID 542524) is 4-methoxy-2-phenylbutan-1-ol.
What is the SMILES notation for 4-methoxy-2-phenylbutan-1-ol?
The canonical SMILES for 4-methoxy-2-phenylbutan-1-ol is COCCC(CO)c1ccccc1.
What is the InChIKey of 4-methoxy-2-phenylbutan-1-ol?
The InChIKey is XLIVVTOKLJBFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-13-8-7-11(9-12)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3.
What are the key properties of 4-methoxy-2-phenylbutan-1-ol?
4-methoxy-2-phenylbutan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-phenylbutan-1-ol is sourced from PubChem (CID 542524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).