2-methoxy-1-phenylethanol

C9H12O2 — CID 572294

IUPAC2-methoxy-1-phenylethanol
SMILESCOCC(O)c1ccccc1
InChIInChI=1S/C9H12O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKeyDGDIVLMPQVYVGW-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.37
Rot. Bonds3

About 2-methoxy-1-phenylethanol

2-methoxy-1-phenylethanol (PubChem CID 572294) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-methoxy-1-phenylethanol.

Molecular Properties

Compound Name2-methoxy-1-phenylethanol
PubChem CID572294
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-methoxy-1-phenylethanol
SMILESCOCC(O)c1ccccc1
InChIInChI=1S/C9H12O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKeyDGDIVLMPQVYVGW-UHFFFAOYSA-N
XLogP1.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenylethanol?
The IUPAC name of 2-methoxy-1-phenylethanol (CID 572294) is 2-methoxy-1-phenylethanol.
What is the SMILES notation for 2-methoxy-1-phenylethanol?
The canonical SMILES for 2-methoxy-1-phenylethanol is COCC(O)c1ccccc1.
What is the InChIKey of 2-methoxy-1-phenylethanol?
The InChIKey is DGDIVLMPQVYVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3.
What are the key properties of 2-methoxy-1-phenylethanol?
2-methoxy-1-phenylethanol has a molecular weight of 152.19 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-phenylethanol is sourced from PubChem (CID 572294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).