1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol

C14H22O3 — CID 55233858

IUPAC1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol
SMILESCCCOCCOCC(O)c1ccccc1C
InChIInChI=1S/C14H22O3/c1-3-8-16-9-10-17-11-14(15)13-7-5-4-6-12(13)2/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyXJCKRSKBEDSQCQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.47
Rot. Bonds8

About 1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol

1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol (PubChem CID 55233858) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol
PubChem CID55233858
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol
SMILESCCCOCCOCC(O)c1ccccc1C
InChIInChI=1S/C14H22O3/c1-3-8-16-9-10-17-11-14(15)13-7-5-4-6-12(13)2/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyXJCKRSKBEDSQCQ-UHFFFAOYSA-N
XLogP2.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.47
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-bromo-2-methylphenyl)-2-propoxyethanol
CID 115818912
1-(4-methoxy-2-methylphenyl)-2-propoxyethanol
CID 65313194
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
1-(2-bromo-3-fluorophenyl)-2-propoxyethanol
CID 115818859
1-(2,3-dimethoxyphenyl)-2-propoxyethanol
CID 79567810
1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol
CID 63685305
4-(2-methylphenyl)-1-propoxybutan-2-ol
CID 105111883
1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol
CID 105111964
N-methyl-2-(2-methylphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63684704
1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol
CID 115818822
1-isoquinolin-4-yl-2-propoxyethanol
CID 63938415
1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 104564698

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol?
The IUPAC name of 1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol (CID 55233858) is 1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol.
What is the SMILES notation for 1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol?
The canonical SMILES for 1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol is CCCOCCOCC(O)c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol?
The InChIKey is XJCKRSKBEDSQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-8-16-9-10-17-11-14(15)13-7-5-4-6-12(13)2/h4-7,14-15H,3,8-11H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol?
1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol has a molecular weight of 238.33 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol is sourced from PubChem (CID 55233858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).