1,3-dimethyl-2-(2-phenoxyethoxy)benzene

C16H18O2 — CID 78906435

IUPAC1,3-dimethyl-2-(2-phenoxyethoxy)benzene
SMILESCc1cccc(C)c1OCCOc1ccccc1
InChIInChI=1S/C16H18O2/c1-13-7-6-8-14(2)16(13)18-12-11-17-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3
InChIKeyLTQDYXSLZCDOPI-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.76
Rot. Bonds5

About 1,3-dimethyl-2-(2-phenoxyethoxy)benzene

1,3-dimethyl-2-(2-phenoxyethoxy)benzene (PubChem CID 78906435) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-phenoxyethoxy)benzene.

Molecular Properties

Compound Name1,3-dimethyl-2-(2-phenoxyethoxy)benzene
PubChem CID78906435
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1,3-dimethyl-2-(2-phenoxyethoxy)benzene
SMILESCc1cccc(C)c1OCCOc1ccccc1
InChIInChI=1S/C16H18O2/c1-13-7-6-8-14(2)16(13)18-12-11-17-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3
InChIKeyLTQDYXSLZCDOPI-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(2-phenoxyethoxy)benzenecarbothioamide
CID 107108759
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
CID 39359626
1,3-dimethyl-2-propoxybenzene
CID 579040
1,3-dimethyl-2-(4-phenylbutoxy)benzene
CID 114334885
2-phenoxyethylmercury
CID 163598363
3-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20993456
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
2-(2,6-dimethylphenoxy)ethyl-trimethylazanium bromide
CID 12633
3,5-dimethyl-2-(2-phenoxyethoxy)aniline
CID 54853263
2-[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249624
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
CID 43254018
2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline
CID 39399797

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(2-phenoxyethoxy)benzene?
The IUPAC name of 1,3-dimethyl-2-(2-phenoxyethoxy)benzene (CID 78906435) is 1,3-dimethyl-2-(2-phenoxyethoxy)benzene.
What is the SMILES notation for 1,3-dimethyl-2-(2-phenoxyethoxy)benzene?
The canonical SMILES for 1,3-dimethyl-2-(2-phenoxyethoxy)benzene is Cc1cccc(C)c1OCCOc1ccccc1.
What is the InChIKey of 1,3-dimethyl-2-(2-phenoxyethoxy)benzene?
The InChIKey is LTQDYXSLZCDOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-13-7-6-8-14(2)16(13)18-12-11-17-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-(2-phenoxyethoxy)benzene?
1,3-dimethyl-2-(2-phenoxyethoxy)benzene has a molecular weight of 242.32 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(2-phenoxyethoxy)benzene is sourced from PubChem (CID 78906435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).