bis(2-methoxy-4-propan-2-ylphenyl)phosphane

C20H27O2P — CID 171780256

IUPACbis(2-methoxy-4-propan-2-ylphenyl)phosphane
SMILESCOc1cc(C(C)C)ccc1Pc1ccc(C(C)C)cc1OC
InChIInChI=1S/C20H27O2P/c1-13(2)15-7-9-19(17(11-15)21-5)23-20-10-8-16(14(3)4)12-18(20)22-6/h7-14,23H,1-6H3
InChIKeyHLBODDQMKJANNI-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.58
Rot. Bonds6

About bis(2-methoxy-4-propan-2-ylphenyl)phosphane

bis(2-methoxy-4-propan-2-ylphenyl)phosphane (PubChem CID 171780256) has the molecular formula C20H27O2P and a molecular weight of 330.41 g/mol. Its IUPAC name is bis(2-methoxy-4-propan-2-ylphenyl)phosphane.

Molecular Properties

Compound Namebis(2-methoxy-4-propan-2-ylphenyl)phosphane
PubChem CID171780256
Molecular FormulaC20H27O2P
Molecular Weight330.41 g/mol
Exact Mass330.17
IUPAC Namebis(2-methoxy-4-propan-2-ylphenyl)phosphane
SMILESCOc1cc(C(C)C)ccc1Pc1ccc(C(C)C)cc1OC
InChIInChI=1S/C20H27O2P/c1-13(2)15-7-9-19(17(11-15)21-5)23-20-10-8-16(14(3)4)12-18(20)22-6/h7-14,23H,1-6H3
InChIKeyHLBODDQMKJANNI-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.58
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

2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide
CID 110758402
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
2-methoxy-4-propan-2-ylbenzonitrile
CID 82490541
1-ethenyl-2-methoxy-4-propan-2-ylbenzene
CID 67419573
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
4-methoxy-6-propan-2-ylazulene
CID 56627743
1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone
CID 98784318
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxy-4-propan-2-ylphenyl)phosphane?
The IUPAC name of bis(2-methoxy-4-propan-2-ylphenyl)phosphane (CID 171780256) is bis(2-methoxy-4-propan-2-ylphenyl)phosphane.
What is the SMILES notation for bis(2-methoxy-4-propan-2-ylphenyl)phosphane?
The canonical SMILES for bis(2-methoxy-4-propan-2-ylphenyl)phosphane is COc1cc(C(C)C)ccc1Pc1ccc(C(C)C)cc1OC.
What is the InChIKey of bis(2-methoxy-4-propan-2-ylphenyl)phosphane?
The InChIKey is HLBODDQMKJANNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O2P/c1-13(2)15-7-9-19(17(11-15)21-5)23-20-10-8-16(14(3)4)12-18(20)22-6/h7-14,23H,1-6H3.
What are the key properties of bis(2-methoxy-4-propan-2-ylphenyl)phosphane?
bis(2-methoxy-4-propan-2-ylphenyl)phosphane has a molecular weight of 330.41 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxy-4-propan-2-ylphenyl)phosphane is sourced from PubChem (CID 171780256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).