2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde

C12H14O3 — CID 75465285

IUPAC2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde
SMILESCOCOc1ccc(C2CC2C=O)cc1
InChIInChI=1S/C12H14O3/c1-14-8-15-11-4-2-9(3-5-11)12-6-10(12)7-13/h2-5,7,10,12H,6,8H2,1H3
InChIKeyXOUNKEFYNPDERF-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.97
Rot. Bonds5

About 2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde

2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde (PubChem CID 75465285) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde
PubChem CID75465285
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde
SMILESCOCOc1ccc(C2CC2C=O)cc1
InChIInChI=1S/C12H14O3/c1-14-8-15-11-4-2-9(3-5-11)12-6-10(12)7-13/h2-5,7,10,12H,6,8H2,1H3
InChIKeyXOUNKEFYNPDERF-UHFFFAOYSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(methoxymethoxy)benzene
CID 542643
ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 142479351
cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
CID 130863052
2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
CID 59988721
2-(4-hydroxyphenyl)cyclopropane-1-carbaldehyde
CID 75532034
2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde
CID 22347501
1-cyclohexyl-4-(methoxymethoxy)benzene
CID 143461597
2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 20792250
1-(methoxymethoxy)-4-[2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 5098450
[4-(methoxymethoxy)phenyl]-methylsilane
CID 162133771
1-ethyl-4-(methoxymethoxy)benzene
CID 54365082
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde?
The IUPAC name of 2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde (CID 75465285) is 2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for 2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde is COCOc1ccc(C2CC2C=O)cc1.
What is the InChIKey of 2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde?
The InChIKey is XOUNKEFYNPDERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-14-8-15-11-4-2-9(3-5-11)12-6-10(12)7-13/h2-5,7,10,12H,6,8H2,1H3.
What are the key properties of 2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde?
2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde has a molecular weight of 206.24 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 75465285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).