(4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane

C12H19OP — CID 151551157

IUPAC(4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane
SMILESCCC(C)(C)Pc1ccc(OC)cc1
InChIInChI=1S/C12H19OP/c1-5-12(2,3)14-11-8-6-10(13-4)7-9-11/h6-9,14H,5H2,1-4H3
InChIKeyQANANCXLMXEOOQ-UHFFFAOYSA-N
MW210.26 g/mol
LogP3.19
Rot. Bonds4

About (4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane

(4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane (PubChem CID 151551157) has the molecular formula C12H19OP and a molecular weight of 210.26 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane
PubChem CID151551157
Molecular FormulaC12H19OP
Molecular Weight210.26 g/mol
Exact Mass210.12
IUPAC Name(4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane
SMILESCCC(C)(C)Pc1ccc(OC)cc1
InChIInChI=1S/C12H19OP/c1-5-12(2,3)14-11-8-6-10(13-4)7-9-11/h6-9,14H,5H2,1-4H3
InChIKeyQANANCXLMXEOOQ-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane?
The IUPAC name of (4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane (CID 151551157) is (4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane.
What is the SMILES notation for (4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane?
The canonical SMILES for (4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane is CCC(C)(C)Pc1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane?
The InChIKey is QANANCXLMXEOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19OP/c1-5-12(2,3)14-11-8-6-10(13-4)7-9-11/h6-9,14H,5H2,1-4H3.
What are the key properties of (4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane?
(4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane has a molecular weight of 210.26 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-methylbutan-2-yl)phosphane is sourced from PubChem (CID 151551157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).