2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene

C16H17ClO4 — CID 2283961

IUPAC2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1OCCOc1ccccc1Cl
InChIInChI=1S/C16H17ClO4/c1-18-14-8-5-9-15(19-2)16(14)21-11-10-20-13-7-4-3-6-12(13)17/h3-9H,10-11H2,1-2H3
InChIKeyMBUDLGABMBCDAT-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.82
Rot. Bonds7

About 2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene

2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene (PubChem CID 2283961) has the molecular formula C16H17ClO4 and a molecular weight of 308.76 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene
PubChem CID2283961
Molecular FormulaC16H17ClO4
Molecular Weight308.76 g/mol
Exact Mass308.08
IUPAC Name2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1OCCOc1ccccc1Cl
InChIInChI=1S/C16H17ClO4/c1-18-14-8-5-9-15(19-2)16(14)21-11-10-20-13-7-4-3-6-12(13)17/h3-9H,10-11H2,1-2H3
InChIKeyMBUDLGABMBCDAT-UHFFFAOYSA-N
XLogP3.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20991995
1-chloro-2-methoxybenzene
CID 13011
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methoxyethoxy)phenyl]methanamine
CID 54849158
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine
CID 14895640
N-[2-[2-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686054
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 2948911
4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
CID 2181134
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene?
The IUPAC name of 2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene (CID 2283961) is 2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene?
The canonical SMILES for 2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene is COc1cccc(OC)c1OCCOc1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene?
The InChIKey is MBUDLGABMBCDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO4/c1-18-14-8-5-9-15(19-2)16(14)21-11-10-20-13-7-4-3-6-12(13)17/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene?
2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene has a molecular weight of 308.76 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene is sourced from PubChem (CID 2283961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).