1-chloro-4-(cyclopropylmethoxymethoxy)benzene

C11H13ClO2 — CID 106931199

IUPAC1-chloro-4-(cyclopropylmethoxymethoxy)benzene
SMILESClc1ccc(OCOCC2CC2)cc1
InChIInChI=1S/C11H13ClO2/c12-10-3-5-11(6-4-10)14-8-13-7-9-1-2-9/h3-6,9H,1-2,7-8H2
InChIKeyBIDXQGCAOGOPSP-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.10
Rot. Bonds5

About 1-chloro-4-(cyclopropylmethoxymethoxy)benzene

1-chloro-4-(cyclopropylmethoxymethoxy)benzene (PubChem CID 106931199) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-chloro-4-(cyclopropylmethoxymethoxy)benzene.

Molecular Properties

Compound Name1-chloro-4-(cyclopropylmethoxymethoxy)benzene
PubChem CID106931199
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-chloro-4-(cyclopropylmethoxymethoxy)benzene
SMILESClc1ccc(OCOCC2CC2)cc1
InChIInChI=1S/C11H13ClO2/c12-10-3-5-11(6-4-10)14-8-13-7-9-1-2-9/h3-6,9H,1-2,7-8H2
InChIKeyBIDXQGCAOGOPSP-UHFFFAOYSA-N
XLogP3.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933657
4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine
CID 10381019
1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene
CID 107669089
2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane
CID 59790958
3-(cyclopropylmethoxymethoxy)aniline
CID 106928946
1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine
CID 106930522
[4-(cyclopropylmethoxymethoxy)-2-methylphenyl]boronic acid
CID 106929992
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
1-[2-(4-chlorophenoxy)ethyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111367792
[3-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929767
1,5-dichloro-3-(chloromethyl)-2-(cyclopropylmethoxymethoxy)benzene
CID 106929887
4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine
CID 106929163

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(cyclopropylmethoxymethoxy)benzene?
The IUPAC name of 1-chloro-4-(cyclopropylmethoxymethoxy)benzene (CID 106931199) is 1-chloro-4-(cyclopropylmethoxymethoxy)benzene.
What is the SMILES notation for 1-chloro-4-(cyclopropylmethoxymethoxy)benzene?
The canonical SMILES for 1-chloro-4-(cyclopropylmethoxymethoxy)benzene is Clc1ccc(OCOCC2CC2)cc1.
What is the InChIKey of 1-chloro-4-(cyclopropylmethoxymethoxy)benzene?
The InChIKey is BIDXQGCAOGOPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c12-10-3-5-11(6-4-10)14-8-13-7-9-1-2-9/h3-6,9H,1-2,7-8H2.
What are the key properties of 1-chloro-4-(cyclopropylmethoxymethoxy)benzene?
1-chloro-4-(cyclopropylmethoxymethoxy)benzene has a molecular weight of 212.68 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(cyclopropylmethoxymethoxy)benzene is sourced from PubChem (CID 106931199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).