1-(chloromethoxy)-2-propoxybenzene

C10H13ClO2 — CID 79530194

IUPAC1-(chloromethoxy)-2-propoxybenzene
SMILESCCCOc1ccccc1OCCl
InChIInChI=1S/C10H13ClO2/c1-2-7-12-9-5-3-4-6-10(9)13-8-11/h3-6H,2,7-8H2,1H3
InChIKeyVLDFKVSLZJBNIP-UHFFFAOYSA-N
MW200.67 g/mol
LogP3.05
Rot. Bonds5

About 1-(chloromethoxy)-2-propoxybenzene

1-(chloromethoxy)-2-propoxybenzene (PubChem CID 79530194) has the molecular formula C10H13ClO2 and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-(chloromethoxy)-2-propoxybenzene.

Molecular Properties

Compound Name1-(chloromethoxy)-2-propoxybenzene
PubChem CID79530194
Molecular FormulaC10H13ClO2
Molecular Weight200.67 g/mol
Exact Mass200.06
IUPAC Name1-(chloromethoxy)-2-propoxybenzene
SMILESCCCOc1ccccc1OCCl
InChIInChI=1S/C10H13ClO2/c1-2-7-12-9-5-3-4-6-10(9)13-8-11/h3-6H,2,7-8H2,1H3
InChIKeyVLDFKVSLZJBNIP-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 53.05
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

1-(6-chlorohexoxy)-2-propoxybenzene
CID 63499119
1-(chloromethoxy)-2-methoxybenzene
CID 12696124
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
1-(6-bromohexoxy)-2-(chloromethoxy)benzene
CID 54415584
3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 61268786
potassium 2-propoxyphenolate
CID 23686802
4-(2-propoxyphenoxy)butan-2-amine
CID 43118980
1-(2-propoxyphenyl)ethanol
CID 43503976
2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 62239879
ethane;1-ethoxy-2-propoxybenzene;formic acid
CID 142473049
(2-propoxyphenyl)boronic acid
CID 4219796

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethoxy)-2-propoxybenzene?
The IUPAC name of 1-(chloromethoxy)-2-propoxybenzene (CID 79530194) is 1-(chloromethoxy)-2-propoxybenzene.
What is the SMILES notation for 1-(chloromethoxy)-2-propoxybenzene?
The canonical SMILES for 1-(chloromethoxy)-2-propoxybenzene is CCCOc1ccccc1OCCl.
What is the InChIKey of 1-(chloromethoxy)-2-propoxybenzene?
The InChIKey is VLDFKVSLZJBNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-2-7-12-9-5-3-4-6-10(9)13-8-11/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-(chloromethoxy)-2-propoxybenzene?
1-(chloromethoxy)-2-propoxybenzene has a molecular weight of 200.67 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethoxy)-2-propoxybenzene is sourced from PubChem (CID 79530194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).