(4-benzylphenyl)-methoxy-oxophosphanium

C14H14O2P+ — CID 141205208

IUPAC(4-benzylphenyl)-methoxy-oxophosphanium
SMILESCO[P+](=O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H14O2P/c1-16-17(15)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/q+1
InChIKeyFQJUAGUGCHXZSI-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.29
Rot. Bonds4

About (4-benzylphenyl)-methoxy-oxophosphanium

(4-benzylphenyl)-methoxy-oxophosphanium (PubChem CID 141205208) has the molecular formula C14H14O2P+ and a molecular weight of 245.24 g/mol. Its IUPAC name is (4-benzylphenyl)-methoxy-oxophosphanium.

Molecular Properties

Compound Name(4-benzylphenyl)-methoxy-oxophosphanium
PubChem CID141205208
Molecular FormulaC14H14O2P+
Molecular Weight245.24 g/mol
Exact Mass245.07
IUPAC Name(4-benzylphenyl)-methoxy-oxophosphanium
SMILESCO[P+](=O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H14O2P/c1-16-17(15)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/q+1
InChIKeyFQJUAGUGCHXZSI-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.29
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

methoxy-[4-[(2-methylphenyl)methyl]phenyl]-oxophosphanium
CID 151461990
benzylbenzene;methoxymethane
CID 161110966
benzylbenzene;ethane;methoxymethane
CID 159187560
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
phenyl(113C)methylbenzene
CID 11194569
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
benzylbenzene;phosphoric acid
CID 161249494
1,4-bis(4-benzylphenyl)benzene
CID 58251041
benzylbenzene;ethane;methanamine
CID 54117827
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
methyl 2-(4-benzylphenyl)-2-oxoacetate
CID 112616475

Frequently Asked Questions

What is the IUPAC name of (4-benzylphenyl)-methoxy-oxophosphanium?
The IUPAC name of (4-benzylphenyl)-methoxy-oxophosphanium (CID 141205208) is (4-benzylphenyl)-methoxy-oxophosphanium.
What is the SMILES notation for (4-benzylphenyl)-methoxy-oxophosphanium?
The canonical SMILES for (4-benzylphenyl)-methoxy-oxophosphanium is CO[P+](=O)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of (4-benzylphenyl)-methoxy-oxophosphanium?
The InChIKey is FQJUAGUGCHXZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2P/c1-16-17(15)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/q+1.
What are the key properties of (4-benzylphenyl)-methoxy-oxophosphanium?
(4-benzylphenyl)-methoxy-oxophosphanium has a molecular weight of 245.24 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylphenyl)-methoxy-oxophosphanium is sourced from PubChem (CID 141205208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).