ethane;1-ethoxy-2-(4-methylphenyl)ethanol

C13H22O2 — CID 143660250

IUPACethane;1-ethoxy-2-(4-methylphenyl)ethanol
SMILESCC.CCOC(O)Cc1ccc(C)cc1
InChIInChI=1S/C11H16O2.C2H6/c1-3-13-11(12)8-10-6-4-9(2)5-7-10;1-2/h4-7,11-12H,3,8H2,1-2H3;1-2H3
InChIKeyYOMYROFORXCPHX-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.92
Rot. Bonds4

About ethane;1-ethoxy-2-(4-methylphenyl)ethanol

ethane;1-ethoxy-2-(4-methylphenyl)ethanol (PubChem CID 143660250) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;1-ethoxy-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Nameethane;1-ethoxy-2-(4-methylphenyl)ethanol
PubChem CID143660250
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethane;1-ethoxy-2-(4-methylphenyl)ethanol
SMILESCC.CCOC(O)Cc1ccc(C)cc1
InChIInChI=1S/C11H16O2.C2H6/c1-3-13-11(12)8-10-6-4-9(2)5-7-10;1-2/h4-7,11-12H,3,8H2,1-2H3;1-2H3
InChIKeyYOMYROFORXCPHX-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxy-3-(4-methylphenyl)propan-2-amine
CID 79495466
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
2-(4-methylphenyl)-1-phenoxyethanol
CID 57226645
3-methoxy-1-(4-methylphenyl)pentan-2-ol
CID 116710820
1,1-diethoxy-4-(4-methylphenyl)butan-2-ol
CID 101485666
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
propyl 2-ethoxy-3-(4-methylphenyl)propanoate
CID 142845050
1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol
CID 175219861
ethyl (2S)-2-[(4-methylphenyl)methyl]-3-oxobutanoate
CID 30469853
3-(diethylamino)-3-methyl-1-(4-methylphenyl)butan-2-ol
CID 79052755
3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine
CID 116759601

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethoxy-2-(4-methylphenyl)ethanol?
The IUPAC name of ethane;1-ethoxy-2-(4-methylphenyl)ethanol (CID 143660250) is ethane;1-ethoxy-2-(4-methylphenyl)ethanol.
What is the SMILES notation for ethane;1-ethoxy-2-(4-methylphenyl)ethanol?
The canonical SMILES for ethane;1-ethoxy-2-(4-methylphenyl)ethanol is CC.CCOC(O)Cc1ccc(C)cc1.
What is the InChIKey of ethane;1-ethoxy-2-(4-methylphenyl)ethanol?
The InChIKey is YOMYROFORXCPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.C2H6/c1-3-13-11(12)8-10-6-4-9(2)5-7-10;1-2/h4-7,11-12H,3,8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethoxy-2-(4-methylphenyl)ethanol?
ethane;1-ethoxy-2-(4-methylphenyl)ethanol has a molecular weight of 210.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxy-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 143660250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).