4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene

C16H25ClO2 — CID 55199459

IUPAC4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene
SMILESCCOc1ccc(C(Cl)C(CC)CC)cc1OCC
InChIInChI=1S/C16H25ClO2/c1-5-12(6-2)16(17)13-9-10-14(18-7-3)15(11-13)19-8-4/h9-12,16H,5-8H2,1-4H3
InChIKeySUOJJSZHWNXTQN-UHFFFAOYSA-N
MW284.83 g/mol
LogP5.20
Rot. Bonds8

About 4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene

4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene (PubChem CID 55199459) has the molecular formula C16H25ClO2 and a molecular weight of 284.83 g/mol. Its IUPAC name is 4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene.

Molecular Properties

Compound Name4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene
PubChem CID55199459
Molecular FormulaC16H25ClO2
Molecular Weight284.83 g/mol
Exact Mass284.15
IUPAC Name4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene
SMILESCCOc1ccc(C(Cl)C(CC)CC)cc1OCC
InChIInChI=1S/C16H25ClO2/c1-5-12(6-2)16(17)13-9-10-14(18-7-3)15(11-13)19-8-4/h9-12,16H,5-8H2,1-4H3
InChIKeySUOJJSZHWNXTQN-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.83
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-chloro-3-methylbutyl)-1,2-diethoxybenzene
CID 63433848
4-[chloro(phenyl)methyl]-1,2-diethoxybenzene
CID 61080986
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-bromo-2-(1-chloro-2-ethylbutyl)-4,5-diethoxybenzene
CID 63433283
4-(1-chloro-3,3,3-trifluoropropyl)-1,2-diethoxybenzene
CID 61084159
2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine
CID 83923547
1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene
CID 63436363
2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan
CID 106688988
3-chloro-1-(3,4-diethoxyphenyl)propane-1,2-diol
CID 171863308
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene
CID 103514497
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene?
The IUPAC name of 4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene (CID 55199459) is 4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene.
What is the SMILES notation for 4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene?
The canonical SMILES for 4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene is CCOc1ccc(C(Cl)C(CC)CC)cc1OCC.
What is the InChIKey of 4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene?
The InChIKey is SUOJJSZHWNXTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClO2/c1-5-12(6-2)16(17)13-9-10-14(18-7-3)15(11-13)19-8-4/h9-12,16H,5-8H2,1-4H3.
What are the key properties of 4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene?
4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene has a molecular weight of 284.83 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene is sourced from PubChem (CID 55199459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).