1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol

C13H20O3 — CID 60925219

IUPAC1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
SMILESCOCCCOc1ccc(C)cc1C(C)O
InChIInChI=1S/C13H20O3/c1-10-5-6-13(12(9-10)11(2)14)16-8-4-7-15-3/h5-6,9,11,14H,4,7-8H2,1-3H3
InChIKeyXYTTUUNPNPTAFW-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.46
Rot. Bonds6

About 1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol

1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol (PubChem CID 60925219) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
PubChem CID60925219
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
SMILESCOCCCOc1ccc(C)cc1C(C)O
InChIInChI=1S/C13H20O3/c1-10-5-6-13(12(9-10)11(2)14)16-8-4-7-15-3/h5-6,9,11,14H,4,7-8H2,1-3H3
InChIKeyXYTTUUNPNPTAFW-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

(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
CID 103180545
(1S)-1-[5-chloro-2-(3-methoxypropoxy)phenyl]ethanol
CID 78931460
1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol
CID 63928842
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
methyl 4-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]butanoate
CID 78933644
(1S)-1-[5-chloro-2-(4-methoxybutoxy)phenyl]ethanol
CID 104648019
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
(1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol
CID 78933854
1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol
CID 113473755
(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63366399
1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64565484
1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol
CID 104808218

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol?
The IUPAC name of 1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol (CID 60925219) is 1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol?
The canonical SMILES for 1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol is COCCCOc1ccc(C)cc1C(C)O.
What is the InChIKey of 1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol?
The InChIKey is XYTTUUNPNPTAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-10-5-6-13(12(9-10)11(2)14)16-8-4-7-15-3/h5-6,9,11,14H,4,7-8H2,1-3H3.
What are the key properties of 1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol?
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol 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-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol is sourced from PubChem (CID 60925219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).