tert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane

C23H28NO2P — CID 4829703

IUPACtert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane
SMILESCc1ccc(N=P(Oc2ccccc2)(c2ccc(C)o2)C(C)(C)C)c(C)c1
InChIInChI=1S/C23H28NO2P/c1-17-12-14-21(18(2)16-17)24-27(23(4,5)6,22-15-13-19(3)25-22)26-20-10-8-7-9-11-20/h7-16H,1-6H3
InChIKeySWBZDPRYUMBZKS-UHFFFAOYSA-N
MW381.46 g/mol
LogP7.16
Rot. Bonds4

About tert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane

tert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane (PubChem CID 4829703) has the molecular formula C23H28NO2P and a molecular weight of 381.46 g/mol. Its IUPAC name is tert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane.

Molecular Properties

Compound Nametert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane
PubChem CID4829703
Molecular FormulaC23H28NO2P
Molecular Weight381.46 g/mol
Exact Mass381.19
IUPAC Nametert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane
SMILESCc1ccc(N=P(Oc2ccccc2)(c2ccc(C)o2)C(C)(C)C)c(C)c1
InChIInChI=1S/C23H28NO2P/c1-17-12-14-21(18(2)16-17)24-27(23(4,5)6,22-15-13-19(3)25-22)26-20-10-8-7-9-11-20/h7-16H,1-6H3
InChIKeySWBZDPRYUMBZKS-UHFFFAOYSA-N
XLogP7.16
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane?
The IUPAC name of tert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane (CID 4829703) is tert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane.
What is the SMILES notation for tert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane?
The canonical SMILES for tert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane is Cc1ccc(N=P(Oc2ccccc2)(c2ccc(C)o2)C(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane?
The InChIKey is SWBZDPRYUMBZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28NO2P/c1-17-12-14-21(18(2)16-17)24-27(23(4,5)6,22-15-13-19(3)25-22)26-20-10-8-7-9-11-20/h7-16H,1-6H3.
What are the key properties of tert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane?
tert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane has a molecular weight of 381.46 g/mol, XLogP of 7.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,4-dimethylphenyl)imino-(5-methylfuran-2-yl)-phenoxy-λ5-phosphane is sourced from PubChem (CID 4829703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).