diethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane

C15H21O3P — CID 142544279

IUPACdiethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane
SMILESC#CCOc1ccc(CP(OCC)OCC)c(C)c1
InChIInChI=1S/C15H21O3P/c1-5-10-16-15-9-8-14(13(4)11-15)12-19(17-6-2)18-7-3/h1,8-9,11H,6-7,10,12H2,2-4H3
InChIKeyHLHCEAAMTMJNCM-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.89
Rot. Bonds8

About diethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane

diethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane (PubChem CID 142544279) has the molecular formula C15H21O3P and a molecular weight of 280.30 g/mol. Its IUPAC name is diethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane.

Molecular Properties

Compound Namediethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane
PubChem CID142544279
Molecular FormulaC15H21O3P
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Namediethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane
SMILESC#CCOc1ccc(CP(OCC)OCC)c(C)c1
InChIInChI=1S/C15H21O3P/c1-5-10-16-15-9-8-14(13(4)11-15)12-19(17-6-2)18-7-3/h1,8-9,11H,6-7,10,12H2,2-4H3
InChIKeyHLHCEAAMTMJNCM-UHFFFAOYSA-N
XLogP3.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
2-bromo-1-methyl-4-prop-2-ynoxybenzene
CID 131137666
2-methyl-4-prop-2-ynoxybenzaldehyde
CID 79119365
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
(4-ethoxy-2-methylphenyl)methanethiol
CID 83798448
2-ethoxycarbonyl-5-prop-2-ynoxybenzoic acid
CID 87472600
ethyl 2-(4-prop-2-ynoxyphenyl)sulfonylacetate
CID 11219782
4-chloro-1-methyl-6-prop-2-ynoxyphthalazine
CID 59373037
1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one
CID 125487739
2-methyl-3-prop-2-ynoxynaphthalene
CID 167077991
1-[ethoxy-bis(4-prop-2-ynoxyphenyl)methyl]-4-prop-2-ynoxybenzene
CID 15933577
2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene
CID 170196742

Frequently Asked Questions

What is the IUPAC name of diethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane?
The IUPAC name of diethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane (CID 142544279) is diethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane.
What is the SMILES notation for diethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane?
The canonical SMILES for diethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane is C#CCOc1ccc(CP(OCC)OCC)c(C)c1.
What is the InChIKey of diethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane?
The InChIKey is HLHCEAAMTMJNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O3P/c1-5-10-16-15-9-8-14(13(4)11-15)12-19(17-6-2)18-7-3/h1,8-9,11H,6-7,10,12H2,2-4H3.
What are the key properties of diethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane?
diethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane has a molecular weight of 280.30 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[(2-methyl-4-prop-2-ynoxyphenyl)methyl]phosphane is sourced from PubChem (CID 142544279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).