[4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane

C13H21OP — CID 167009841

IUPAC[4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane
SMILESCOc1cc(C(C)C)c(P)cc1C(C)C
InChIInChI=1S/C13H21OP/c1-8(2)10-7-13(15)11(9(3)4)6-12(10)14-5/h6-9H,15H2,1-5H3
InChIKeyFVVUQTJDXHOIJA-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.44
Rot. Bonds3

About [4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane

[4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane (PubChem CID 167009841) has the molecular formula C13H21OP and a molecular weight of 224.28 g/mol. Its IUPAC name is [4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Name[4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane
PubChem CID167009841
Molecular FormulaC13H21OP
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane
SMILESCOc1cc(C(C)C)c(P)cc1C(C)C
InChIInChI=1S/C13H21OP/c1-8(2)10-7-13(15)11(9(3)4)6-12(10)14-5/h6-9H,15H2,1-5H3
InChIKeyFVVUQTJDXHOIJA-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-propan-2-ylbenzenethiol
CID 130436084
1-(disulfanyl)-2,5-dimethoxy-4-propan-2-ylbenzene
CID 134182107
1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
CID 59409851
1,2,4-trimethoxy-5-(1-methoxyethyl)benzene
CID 91567159
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
2,4-dimethoxy-5-propan-2-ylbenzonitrile
CID 117293477
4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene
CID 167036227
1-methoxy-2-methyl-5-propan-2-yl-4-propan-2-yloxybenzene
CID 134182068
3,6-dimethoxy-2-propan-2-ylnaphthalene
CID 71390395
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane?
The IUPAC name of [4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane (CID 167009841) is [4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane.
What is the SMILES notation for [4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane?
The canonical SMILES for [4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane is COc1cc(C(C)C)c(P)cc1C(C)C.
What is the InChIKey of [4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane?
The InChIKey is FVVUQTJDXHOIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21OP/c1-8(2)10-7-13(15)11(9(3)4)6-12(10)14-5/h6-9H,15H2,1-5H3.
What are the key properties of [4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane?
[4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane has a molecular weight of 224.28 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane is sourced from PubChem (CID 167009841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).