1-chloro-4-(1-ethoxyethoxymethyl)benzene

C11H15ClO2 — CID 19994952

IUPAC1-chloro-4-(1-ethoxyethoxymethyl)benzene
SMILESCCOC(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO2/c1-3-13-9(2)14-8-10-4-6-11(12)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyPGOPYKNVLDUWTG-UHFFFAOYSA-N
MW214.69 g/mol
LogP3.24
Rot. Bonds5

About 1-chloro-4-(1-ethoxyethoxymethyl)benzene

1-chloro-4-(1-ethoxyethoxymethyl)benzene (PubChem CID 19994952) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-chloro-4-(1-ethoxyethoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1-ethoxyethoxymethyl)benzene
PubChem CID19994952
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-chloro-4-(1-ethoxyethoxymethyl)benzene
SMILESCCOC(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO2/c1-3-13-9(2)14-8-10-4-6-11(12)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyPGOPYKNVLDUWTG-UHFFFAOYSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
1-[(4-chlorophenyl)methoxy]ethanol
CID 134444684
1-bromo-2,4-bis(1-ethoxyethoxymethyl)benzene
CID 12039851
2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65125262
3-[(4-chlorophenyl)methoxy]-2-methylbutanoic acid
CID 174667439
1,1-diethoxyethane
CID 7765
3-(4-chlorophenyl)-1,1-diethoxypropan-2-amine
CID 79496455
3-(4-chlorophenyl)-1,1-diethoxypropan-2-ol
CID 79495652
N-[2-[(4-chlorophenyl)methoxy]propyl]cyclopentanamine
CID 65125616
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
4-[(4-chlorophenyl)methoxy]pentanoic acid
CID 65127017
1,1-diethoxyethane;2-phenylethylbenzene
CID 66689331

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-ethoxyethoxymethyl)benzene?
The IUPAC name of 1-chloro-4-(1-ethoxyethoxymethyl)benzene (CID 19994952) is 1-chloro-4-(1-ethoxyethoxymethyl)benzene.
What is the SMILES notation for 1-chloro-4-(1-ethoxyethoxymethyl)benzene?
The canonical SMILES for 1-chloro-4-(1-ethoxyethoxymethyl)benzene is CCOC(C)OCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1-ethoxyethoxymethyl)benzene?
The InChIKey is PGOPYKNVLDUWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-3-13-9(2)14-8-10-4-6-11(12)7-5-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-chloro-4-(1-ethoxyethoxymethyl)benzene?
1-chloro-4-(1-ethoxyethoxymethyl)benzene has a molecular weight of 214.69 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-ethoxyethoxymethyl)benzene is sourced from PubChem (CID 19994952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).