2-[4-(3,4-dimethylphenyl)phenoxy]ethanol

C16H18O2 — CID 82117712

IUPAC2-[4-(3,4-dimethylphenyl)phenoxy]ethanol
SMILESCc1ccc(-c2ccc(OCCO)cc2)cc1C
InChIInChI=1S/C16H18O2/c1-12-3-4-15(11-13(12)2)14-5-7-16(8-6-14)18-10-9-17/h3-8,11,17H,9-10H2,1-2H3
InChIKeySJETVBLXOSPTHU-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.34
Rot. Bonds4

About 2-[4-(3,4-dimethylphenyl)phenoxy]ethanol

2-[4-(3,4-dimethylphenyl)phenoxy]ethanol (PubChem CID 82117712) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)phenoxy]ethanol
PubChem CID82117712
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-[4-(3,4-dimethylphenyl)phenoxy]ethanol
SMILESCc1ccc(-c2ccc(OCCO)cc2)cc1C
InChIInChI=1S/C16H18O2/c1-12-3-4-15(11-13(12)2)14-5-7-16(8-6-14)18-10-9-17/h3-8,11,17H,9-10H2,1-2H3
InChIKeySJETVBLXOSPTHU-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
CID 67511777
3-[4-(3,4-dimethylphenyl)phenoxy]propanoic acid
CID 39369403
2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol
CID 20580129
2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
CID 61074623
CID 162335780
CID 162335780
2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate
CID 23134391
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
2-(4-methylphenoxy)ethanol;thionyl dichloride
CID 91035331
2-[2-methoxy-4-(4-methoxyphenyl)phenoxy]ethanol
CID 145389562
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)phenoxy]ethanol?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)phenoxy]ethanol (CID 82117712) is 2-[4-(3,4-dimethylphenyl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)phenoxy]ethanol?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)phenoxy]ethanol is Cc1ccc(-c2ccc(OCCO)cc2)cc1C.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)phenoxy]ethanol?
The InChIKey is SJETVBLXOSPTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-12-3-4-15(11-13(12)2)14-5-7-16(8-6-14)18-10-9-17/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 2-[4-(3,4-dimethylphenyl)phenoxy]ethanol?
2-[4-(3,4-dimethylphenyl)phenoxy]ethanol has a molecular weight of 242.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)phenoxy]ethanol is sourced from PubChem (CID 82117712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).