1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid

C11H17O2P — CID 156844425

IUPAC1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid
SMILESCOc1cccc(CC(C)P(C)O)c1
InChIInChI=1S/C11H17O2P/c1-9(14(3)12)7-10-5-4-6-11(8-10)13-2/h4-6,8-9,12H,7H2,1-3H3
InChIKeyYPIIKNUEAWNFIC-UHFFFAOYSA-N
MW212.23 g/mol
LogP2.65
Rot. Bonds4

About 1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid

1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid (PubChem CID 156844425) has the molecular formula C11H17O2P and a molecular weight of 212.23 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid.

Molecular Properties

Compound Name1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid
PubChem CID156844425
Molecular FormulaC11H17O2P
Molecular Weight212.23 g/mol
Exact Mass212.10
IUPAC Name1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid
SMILESCOc1cccc(CC(C)P(C)O)c1
InChIInChI=1S/C11H17O2P/c1-9(14(3)12)7-10-5-4-6-11(8-10)13-2/h4-6,8-9,12H,7H2,1-3H3
InChIKeyYPIIKNUEAWNFIC-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
(3-methoxyphenyl)(113C)methanol
CID 11593446
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
3-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450748
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
[2-(3-methoxyphenyl)-1-phosphonoethyl]phosphonic acid
CID 167673236

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid?
The IUPAC name of 1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid (CID 156844425) is 1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid.
What is the SMILES notation for 1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid?
The canonical SMILES for 1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid is COc1cccc(CC(C)P(C)O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid?
The InChIKey is YPIIKNUEAWNFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2P/c1-9(14(3)12)7-10-5-4-6-11(8-10)13-2/h4-6,8-9,12H,7H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid?
1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid has a molecular weight of 212.23 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid is sourced from PubChem (CID 156844425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).