1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene

C14H23O5P — CID 87175437

IUPAC1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene
SMILESCCOP(=O)(Cc1ccccc1OCCOC)OCC
InChIInChI=1S/C14H23O5P/c1-4-18-20(15,19-5-2)12-13-8-6-7-9-14(13)17-11-10-16-3/h6-9H,4-5,10-12H2,1-3H3
InChIKeyCHXUEWZEKNGMPP-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.48
Rot. Bonds10

About 1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene

1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene (PubChem CID 87175437) has the molecular formula C14H23O5P and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene
PubChem CID87175437
Molecular FormulaC14H23O5P
Molecular Weight302.31 g/mol
Exact Mass302.13
IUPAC Name1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene
SMILESCCOP(=O)(Cc1ccccc1OCCOC)OCC
InChIInChI=1S/C14H23O5P/c1-4-18-20(15,19-5-2)12-13-8-6-7-9-14(13)17-11-10-16-3/h6-9H,4-5,10-12H2,1-3H3
InChIKeyCHXUEWZEKNGMPP-UHFFFAOYSA-N
XLogP3.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[5-[2-(diethoxyphosphorylmethyl)phenoxy]pentyl]purin-6-amine
CID 46186476
1-(dibutylphosphorylmethyl)-2-[2-[2-(dibutylphosphorylmethyl)phenoxy]ethoxy]benzene
CID 3107593
methyl 2-(diethoxyphosphorylmethyl)benzenesulfonate
CID 156768430
1,5-dibutoxy-4,8-bis(diethoxyphosphorylmethyl)naphthalene
CID 101207069
2-[2-[2-(diethoxyphosphorylmethyl)phenoxy]ethyl]-4-hexyl-1,4-benzoxazin-3-one
CID 20580614
1-(diethoxyphosphorylmethyl)-2-isocyanobenzene
CID 11436695
1-(diethoxyphosphorylmethyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]benzene
CID 87704919
[2-(2-methoxyethoxy)phenyl]methylhydrazine
CID 105220831
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
1,4-bis(diethoxyphosphorylmethyl)-2,5-dioctadecoxybenzene
CID 102588000
methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate
CID 19801625
4-butoxy-3-(diethoxyphosphorylmethyl)benzaldehyde
CID 15045720

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene?
The IUPAC name of 1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene (CID 87175437) is 1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene.
What is the SMILES notation for 1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene?
The canonical SMILES for 1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene is CCOP(=O)(Cc1ccccc1OCCOC)OCC.
What is the InChIKey of 1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene?
The InChIKey is CHXUEWZEKNGMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O5P/c1-4-18-20(15,19-5-2)12-13-8-6-7-9-14(13)17-11-10-16-3/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene?
1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene has a molecular weight of 302.31 g/mol, XLogP of 3.48, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxyphosphorylmethyl)-2-(2-methoxyethoxy)benzene is sourced from PubChem (CID 87175437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).