1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene

C14H23O3P — CID 54392795

IUPAC1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene
SMILESCCP(=O)(CC)C(OC)c1cc(C)cc(OC)c1
InChIInChI=1S/C14H23O3P/c1-6-18(15,7-2)14(17-5)12-8-11(3)9-13(10-12)16-4/h8-10,14H,6-7H2,1-5H3
InChIKeyVHVSCRMBUYPVKV-UHFFFAOYSA-N
MW270.31 g/mol
LogP4.05
Rot. Bonds6

About 1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene

1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene (PubChem CID 54392795) has the molecular formula C14H23O3P and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene.

Molecular Properties

Compound Name1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene
PubChem CID54392795
Molecular FormulaC14H23O3P
Molecular Weight270.31 g/mol
Exact Mass270.14
IUPAC Name1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene
SMILESCCP(=O)(CC)C(OC)c1cc(C)cc(OC)c1
InChIInChI=1S/C14H23O3P/c1-6-18(15,7-2)14(17-5)12-8-11(3)9-13(10-12)16-4/h8-10,14H,6-7H2,1-5H3
InChIKeyVHVSCRMBUYPVKV-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-5-methylphenyl)propan-1-amine
CID 83696098
ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate
CID 22600125
3-(3-methoxy-5-methylphenyl)butanal
CID 117283133
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
(1R,2S)-1-amino-1-(3-methoxy-5-methylphenyl)propan-2-ol
CID 130641890
2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol
CID 163502977
3-methoxy-5-methylbenzenethiol
CID 22504719
1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene
CID 58027393
1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride
CID 87072267
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
1-[(3,5-dimethoxyphenyl)-methoxymethyl]-3,5-dimethoxybenzene
CID 126607837

Frequently Asked Questions

What is the IUPAC name of 1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene?
The IUPAC name of 1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene (CID 54392795) is 1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene.
What is the SMILES notation for 1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene?
The canonical SMILES for 1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene is CCP(=O)(CC)C(OC)c1cc(C)cc(OC)c1.
What is the InChIKey of 1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene?
The InChIKey is VHVSCRMBUYPVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O3P/c1-6-18(15,7-2)14(17-5)12-8-11(3)9-13(10-12)16-4/h8-10,14H,6-7H2,1-5H3.
What are the key properties of 1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene?
1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene has a molecular weight of 270.31 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene is sourced from PubChem (CID 54392795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).