2,4-dichloro-1-(propoxymethyl)benzene

C10H12Cl2O — CID 527851

IUPAC2,4-dichloro-1-(propoxymethyl)benzene
SMILESCCCOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2O/c1-2-5-13-7-8-3-4-9(11)6-10(8)12/h3-4,6H,2,5,7H2,1H3
InChIKeyFZFOGSLKWQTCIQ-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.92
Rot. Bonds4

About 2,4-dichloro-1-(propoxymethyl)benzene

2,4-dichloro-1-(propoxymethyl)benzene (PubChem CID 527851) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 2,4-dichloro-1-(propoxymethyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(propoxymethyl)benzene
PubChem CID527851
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name2,4-dichloro-1-(propoxymethyl)benzene
SMILESCCCOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2O/c1-2-5-13-7-8-3-4-9(11)6-10(8)12/h3-4,6H,2,5,7H2,1H3
InChIKeyFZFOGSLKWQTCIQ-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.92
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-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine
CID 62336671
2,4-dichloro-1-(2-methylbutoxymethyl)benzene
CID 91723382
N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide
CID 75445405
1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
CID 82475739
4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene
CID 170255219
4-(butoxymethyl)-3-chlorobenzonitrile
CID 102665874
1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine
CID 70293179
1-(butoxymethyl)-4-chloro-2-nitrobenzene
CID 91725296
(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
CID 35754068
[4-chloro-2-(2-propoxyethoxy)phenyl]methanamine
CID 63686142
(3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine
CID 86320757

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(propoxymethyl)benzene?
The IUPAC name of 2,4-dichloro-1-(propoxymethyl)benzene (CID 527851) is 2,4-dichloro-1-(propoxymethyl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(propoxymethyl)benzene?
The canonical SMILES for 2,4-dichloro-1-(propoxymethyl)benzene is CCCOCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(propoxymethyl)benzene?
The InChIKey is FZFOGSLKWQTCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-2-5-13-7-8-3-4-9(11)6-10(8)12/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 2,4-dichloro-1-(propoxymethyl)benzene?
2,4-dichloro-1-(propoxymethyl)benzene has a molecular weight of 219.11 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(propoxymethyl)benzene is sourced from PubChem (CID 527851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).