1-(4-methoxy-2-methylphenyl)-2-propoxyethanol

C13H20O3 — CID 65313194

IUPAC1-(4-methoxy-2-methylphenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(OC)cc1C
InChIInChI=1S/C13H20O3/c1-4-7-16-9-13(14)12-6-5-11(15-3)8-10(12)2/h5-6,8,13-14H,4,7,9H2,1-3H3
InChIKeyRGSVMYQARJAPBY-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.46
Rot. Bonds6

About 1-(4-methoxy-2-methylphenyl)-2-propoxyethanol

1-(4-methoxy-2-methylphenyl)-2-propoxyethanol (PubChem CID 65313194) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-2-propoxyethanol
PubChem CID65313194
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-(4-methoxy-2-methylphenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(OC)cc1C
InChIInChI=1S/C13H20O3/c1-4-7-16-9-13(14)12-6-5-11(15-3)8-10(12)2/h5-6,8,13-14H,4,7,9H2,1-3H3
InChIKeyRGSVMYQARJAPBY-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 81304349
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105083019
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine
CID 65313666
1-(4-methoxy-2-methylphenyl)octan-1-ol
CID 61101302
3-methoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 65313094
3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 61101293
3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 116504533
1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
CID 105095984
1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol
CID 115818822
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-propoxyethanol?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-propoxyethanol (CID 65313194) is 1-(4-methoxy-2-methylphenyl)-2-propoxyethanol.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-2-propoxyethanol?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-2-propoxyethanol is CCCOCC(O)c1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-2-propoxyethanol?
The InChIKey is RGSVMYQARJAPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-7-16-9-13(14)12-6-5-11(15-3)8-10(12)2/h5-6,8,13-14H,4,7,9H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-2-propoxyethanol?
1-(4-methoxy-2-methylphenyl)-2-propoxyethanol has a molecular weight of 224.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-2-propoxyethanol is sourced from PubChem (CID 65313194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).