oxo-bis(3-propan-2-yloxyphenyl)phosphanium

C18H22O3P+ — CID 67298110

IUPACoxo-bis(3-propan-2-yloxyphenyl)phosphanium
SMILESCC(C)Oc1cccc([P+](=O)c2cccc(OC(C)C)c2)c1
InChIInChI=1S/C18H22O3P/c1-13(2)20-15-7-5-9-17(11-15)22(19)18-10-6-8-16(12-18)21-14(3)4/h5-14H,1-4H3/q+1
InChIKeyMUUDYTVBZLCGBP-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.04
Rot. Bonds6

About oxo-bis(3-propan-2-yloxyphenyl)phosphanium

oxo-bis(3-propan-2-yloxyphenyl)phosphanium (PubChem CID 67298110) has the molecular formula C18H22O3P+ and a molecular weight of 317.35 g/mol. Its IUPAC name is oxo-bis(3-propan-2-yloxyphenyl)phosphanium.

Molecular Properties

Compound Nameoxo-bis(3-propan-2-yloxyphenyl)phosphanium
PubChem CID67298110
Molecular FormulaC18H22O3P+
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Nameoxo-bis(3-propan-2-yloxyphenyl)phosphanium
SMILESCC(C)Oc1cccc([P+](=O)c2cccc(OC(C)C)c2)c1
InChIInChI=1S/C18H22O3P/c1-13(2)20-15-7-5-9-17(11-15)22(19)18-10-6-8-16(12-18)21-14(3)4/h5-14H,1-4H3/q+1
InChIKeyMUUDYTVBZLCGBP-UHFFFAOYSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
1-(3-propan-2-yloxyphenyl)but-2-en-1-one
CID 162367097
2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde
CID 105467397
2-chloro-2-(3-propan-2-yloxyphenyl)acetamide
CID 62226246
3-methyl-1-(3-propan-2-yloxyphenyl)butane-1,2-diol
CID 103456619
4-(3-propan-2-yloxyphenyl)benzenethiol
CID 91656133
1-(2-bromoethyl)-3-propan-2-yloxybenzene
CID 64867927

Frequently Asked Questions

What is the IUPAC name of oxo-bis(3-propan-2-yloxyphenyl)phosphanium?
The IUPAC name of oxo-bis(3-propan-2-yloxyphenyl)phosphanium (CID 67298110) is oxo-bis(3-propan-2-yloxyphenyl)phosphanium.
What is the SMILES notation for oxo-bis(3-propan-2-yloxyphenyl)phosphanium?
The canonical SMILES for oxo-bis(3-propan-2-yloxyphenyl)phosphanium is CC(C)Oc1cccc([P+](=O)c2cccc(OC(C)C)c2)c1.
What is the InChIKey of oxo-bis(3-propan-2-yloxyphenyl)phosphanium?
The InChIKey is MUUDYTVBZLCGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3P/c1-13(2)20-15-7-5-9-17(11-15)22(19)18-10-6-8-16(12-18)21-14(3)4/h5-14H,1-4H3/q+1.
What are the key properties of oxo-bis(3-propan-2-yloxyphenyl)phosphanium?
oxo-bis(3-propan-2-yloxyphenyl)phosphanium has a molecular weight of 317.35 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(3-propan-2-yloxyphenyl)phosphanium is sourced from PubChem (CID 67298110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).