deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene

C20H27FO7 — CID 160741711

IUPACdeuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene
SMILESCOCOc1ccc(OC)cc1.COCOc1ccc(OC)cc1C=O.[2H]CF
InChIInChI=1S/C10H12O4.C9H12O3.CH3F/c1-12-7-14-10-4-3-9(13-2)5-8(10)6-11;1-10-7-12-9-5-3-8(11-2)4-6-9;1-2/h3-6H,7H2,1-2H3;3-6H,7H2,1-2H3;1H3/i;;1D
InChIKeyRVRFFMORWYJUPG-PRQZKWGPSA-N
MW399.43 g/mol
LogP3.75
Rot. Bonds9

About deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene

deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene (PubChem CID 160741711) has the molecular formula C20H27FO7 and a molecular weight of 399.43 g/mol. Its IUPAC name is deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene.

Molecular Properties

Compound Namedeuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene
PubChem CID160741711
Molecular FormulaC20H27FO7
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC Namedeuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene
SMILESCOCOc1ccc(OC)cc1.COCOc1ccc(OC)cc1C=O.[2H]CF
InChIInChI=1S/C10H12O4.C9H12O3.CH3F/c1-12-7-14-10-4-3-9(13-2)5-8(10)6-11;1-10-7-12-9-5-3-8(11-2)4-6-9;1-2/h3-6H,7H2,1-2H3;3-6H,7H2,1-2H3;1H3/i;;1D
InChIKeyRVRFFMORWYJUPG-PRQZKWGPSA-N
XLogP3.75
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922402
2-(2-chloroethoxy)-5-methoxybenzaldehyde
CID 3828469
5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649732
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde
CID 59603127
2-(2-hydroxy-2-methylpropoxy)-5-methoxybenzaldehyde
CID 60884654
5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490800
chloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol
CID 160968819
5-methoxy-2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033823
2-bromo-4-(methoxymethoxy)benzaldehyde
CID 24829119
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene?
The IUPAC name of deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene (CID 160741711) is deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene.
What is the SMILES notation for deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene?
The canonical SMILES for deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene is COCOc1ccc(OC)cc1.COCOc1ccc(OC)cc1C=O.[2H]CF.
What is the InChIKey of deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene?
The InChIKey is RVRFFMORWYJUPG-PRQZKWGPSA-N. The full InChI is InChI=1S/C10H12O4.C9H12O3.CH3F/c1-12-7-14-10-4-3-9(13-2)5-8(10)6-11;1-10-7-12-9-5-3-8(11-2)4-6-9;1-2/h3-6H,7H2,1-2H3;3-6H,7H2,1-2H3;1H3/i;;1D.
What are the key properties of deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene?
deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene has a molecular weight of 399.43 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene is sourced from PubChem (CID 160741711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).