2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene

C20H26O — CID 139601622

IUPAC2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1CCOCCc1c(C)cccc1C
InChIInChI=1S/C20H26O/c1-15-7-5-8-16(2)19(15)11-13-21-14-12-20-17(3)9-6-10-18(20)4/h5-10H,11-14H2,1-4H3
InChIKeyNNYPOIUTOMRCRW-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.72
Rot. Bonds6

About 2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene

2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene (PubChem CID 139601622) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene
PubChem CID139601622
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1CCOCCc1c(C)cccc1C
InChIInChI=1S/C20H26O/c1-15-7-5-8-16(2)19(15)11-13-21-14-12-20-17(3)9-6-10-18(20)4/h5-10H,11-14H2,1-4H3
InChIKeyNNYPOIUTOMRCRW-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(2,6-dimethylphenyl)pentyl]-1,3-dimethylbenzene
CID 22921267
1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene
CID 139601612
3-(2,6-dimethylphenyl)propyl-difluorosilane
CID 123512111
3-(2,6-dimethylphenyl)propanal
CID 73014071
1,3-dimethyl-2-(3-methylbutyl)benzene
CID 59833052
1,3-dimethyl-2-[2-(4-methylphenyl)ethyl]benzene
CID 143282666
O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117311824
1,3-dimethyl-2-propylbenzene;prop-1-yne
CID 143326143
2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
CID 175265756
1-(2,6-dimethylphenyl)-4-propoxybutan-2-one
CID 105123511
2-(2,6-dimethylphenyl)ethanesulfonamide
CID 13480198
3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine
CID 3024726

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene (CID 139601622) is 2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene is Cc1cccc(C)c1CCOCCc1c(C)cccc1C.
What is the InChIKey of 2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene?
The InChIKey is NNYPOIUTOMRCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-15-7-5-8-16(2)19(15)11-13-21-14-12-20-17(3)9-6-10-18(20)4/h5-10H,11-14H2,1-4H3.
What are the key properties of 2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene?
2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene has a molecular weight of 282.43 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene is sourced from PubChem (CID 139601622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).