1-(4-methylphenyl)propan-2-ylphosphanyl formate

C11H15O2P — CID 58239376

IUPAC1-(4-methylphenyl)propan-2-ylphosphanyl formate
SMILESCc1ccc(CC(C)POC=O)cc1
InChIInChI=1S/C11H15O2P/c1-9-3-5-11(6-4-9)7-10(2)14-13-8-12/h3-6,8,10,14H,7H2,1-2H3
InChIKeyDZKTVZQHFRJLMT-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.69
Rot. Bonds5

About 1-(4-methylphenyl)propan-2-ylphosphanyl formate

1-(4-methylphenyl)propan-2-ylphosphanyl formate (PubChem CID 58239376) has the molecular formula C11H15O2P and a molecular weight of 210.21 g/mol. Its IUPAC name is 1-(4-methylphenyl)propan-2-ylphosphanyl formate.

Molecular Properties

Compound Name1-(4-methylphenyl)propan-2-ylphosphanyl formate
PubChem CID58239376
Molecular FormulaC11H15O2P
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name1-(4-methylphenyl)propan-2-ylphosphanyl formate
SMILESCc1ccc(CC(C)POC=O)cc1
InChIInChI=1S/C11H15O2P/c1-9-3-5-11(6-4-9)7-10(2)14-13-8-12/h3-6,8,10,14H,7H2,1-2H3
InChIKeyDZKTVZQHFRJLMT-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-3-(4-methylphenyl)propanal
CID 12936019
ethane;2-methyl-3-(4-methylphenyl)propanal
CID 142479337
2-[(4-methylphenyl)methyl]propanedial
CID 59310904
1-[(4-methylphenyl)methoxy]propan-2-yl formate
CID 58861581
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene
CID 83930880
2-(aminomethyl)-3-(4-methylphenyl)propanal
CID 135220119
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
3,3,3-trifluoro-2-[(4-methylphenyl)methyl]propanal
CID 115029432
1-(2-methoxypropyl)-4-(4-methylphenyl)benzene
CID 145316433
4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol
CID 62916066
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)propan-2-ylphosphanyl formate?
The IUPAC name of 1-(4-methylphenyl)propan-2-ylphosphanyl formate (CID 58239376) is 1-(4-methylphenyl)propan-2-ylphosphanyl formate.
What is the SMILES notation for 1-(4-methylphenyl)propan-2-ylphosphanyl formate?
The canonical SMILES for 1-(4-methylphenyl)propan-2-ylphosphanyl formate is Cc1ccc(CC(C)POC=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)propan-2-ylphosphanyl formate?
The InChIKey is DZKTVZQHFRJLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O2P/c1-9-3-5-11(6-4-9)7-10(2)14-13-8-12/h3-6,8,10,14H,7H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)propan-2-ylphosphanyl formate?
1-(4-methylphenyl)propan-2-ylphosphanyl formate has a molecular weight of 210.21 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)propan-2-ylphosphanyl formate is sourced from PubChem (CID 58239376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).