2,5-bis(2-methoxyphenyl)-1-methylphospholane

C19H23O2P — CID 90111468

IUPAC2,5-bis(2-methoxyphenyl)-1-methylphospholane
SMILESCOc1ccccc1C1CCC(c2ccccc2OC)P1C
InChIInChI=1S/C19H23O2P/c1-20-16-10-6-4-8-14(16)18-12-13-19(22(18)3)15-9-5-7-11-17(15)21-2/h4-11,18-19H,12-13H2,1-3H3
InChIKeyDJGQDUBVGPCUHD-UHFFFAOYSA-N
MW314.37 g/mol
LogP5.39
Rot. Bonds4

About 2,5-bis(2-methoxyphenyl)-1-methylphospholane

2,5-bis(2-methoxyphenyl)-1-methylphospholane (PubChem CID 90111468) has the molecular formula C19H23O2P and a molecular weight of 314.37 g/mol. Its IUPAC name is 2,5-bis(2-methoxyphenyl)-1-methylphospholane.

Molecular Properties

Compound Name2,5-bis(2-methoxyphenyl)-1-methylphospholane
PubChem CID90111468
Molecular FormulaC19H23O2P
Molecular Weight314.37 g/mol
Exact Mass314.14
IUPAC Name2,5-bis(2-methoxyphenyl)-1-methylphospholane
SMILESCOc1ccccc1C1CCC(c2ccccc2OC)P1C
InChIInChI=1S/C19H23O2P/c1-20-16-10-6-4-8-14(16)18-12-13-19(22(18)3)15-9-5-7-11-17(15)21-2/h4-11,18-19H,12-13H2,1-3H3
InChIKeyDJGQDUBVGPCUHD-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.37
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 144769798
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1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
(5R)-5-(2-methoxyphenyl)imidazolidine-2,4-dione
CID 94255380
4-(2-methoxyphenyl)piperidine
CID 544738
(5S)-5-(2-methoxyphenyl)oxolan-2-one
CID 10750262
(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidine
CID 95366752
1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene
CID 2327236
cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
(4R)-4-(2-methoxyphenyl)oxan-2-one
CID 102162609

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methoxyphenyl)-1-methylphospholane?
The IUPAC name of 2,5-bis(2-methoxyphenyl)-1-methylphospholane (CID 90111468) is 2,5-bis(2-methoxyphenyl)-1-methylphospholane.
What is the SMILES notation for 2,5-bis(2-methoxyphenyl)-1-methylphospholane?
The canonical SMILES for 2,5-bis(2-methoxyphenyl)-1-methylphospholane is COc1ccccc1C1CCC(c2ccccc2OC)P1C.
What is the InChIKey of 2,5-bis(2-methoxyphenyl)-1-methylphospholane?
The InChIKey is DJGQDUBVGPCUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O2P/c1-20-16-10-6-4-8-14(16)18-12-13-19(22(18)3)15-9-5-7-11-17(15)21-2/h4-11,18-19H,12-13H2,1-3H3.
What are the key properties of 2,5-bis(2-methoxyphenyl)-1-methylphospholane?
2,5-bis(2-methoxyphenyl)-1-methylphospholane has a molecular weight of 314.37 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methoxyphenyl)-1-methylphospholane is sourced from PubChem (CID 90111468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).