4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde

C13H16O4 — CID 106929603

IUPAC4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCOCC1CC1
InChIInChI=1S/C13H16O4/c1-15-13-6-11(7-14)4-5-12(13)17-9-16-8-10-2-3-10/h4-7,10H,2-3,8-9H2,1H3
InChIKeyIPZAOMYUKJSRNI-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.27
Rot. Bonds7

About 4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde

4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde (PubChem CID 106929603) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde
PubChem CID106929603
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCOCC1CC1
InChIInChI=1S/C13H16O4/c1-15-13-6-11(7-14)4-5-12(13)17-9-16-8-10-2-3-10/h4-7,10H,2-3,8-9H2,1H3
InChIKeyIPZAOMYUKJSRNI-UHFFFAOYSA-N
XLogP2.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

4-(4-bromobutoxymethoxy)-3-methoxybenzaldehyde
CID 139649013
3-methoxy-4-[(1-methylpyrrolidin-3-yl)methoxy]benzaldehyde
CID 117052352
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
CID 19705426
4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-methoxybenzaldehyde
CID 99991929
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
3-bromo-4-(cyclopropylmethoxymethoxy)-5-ethoxybenzaldehyde
CID 106929617

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde?
The IUPAC name of 4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde (CID 106929603) is 4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde.
What is the SMILES notation for 4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde?
The canonical SMILES for 4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde is COc1cc(C=O)ccc1OCOCC1CC1.
What is the InChIKey of 4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde?
The InChIKey is IPZAOMYUKJSRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-15-13-6-11(7-14)4-5-12(13)17-9-16-8-10-2-3-10/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde?
4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde has a molecular weight of 236.27 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde is sourced from PubChem (CID 106929603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).