1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid

C19H19O4P — CID 67896941

IUPAC1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
SMILESCc1ccc(-c2ccccc2-c2ccccc2)cc1.O=P(O)(O)O
InChIInChI=1S/C19H16.H3O4P/c1-15-11-13-17(14-12-15)19-10-6-5-9-18(19)16-7-3-2-4-8-16;1-5(2,3)4/h2-14H,1H3;(H3,1,2,3,4)
InChIKeyWKPXASVCXGJPNW-UHFFFAOYSA-N
MW342.33 g/mol
LogP4.40
Rot. Bonds2

About 1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid

1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid (PubChem CID 67896941) has the molecular formula C19H19O4P and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid.

Molecular Properties

Compound Name1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
PubChem CID67896941
Molecular FormulaC19H19O4P
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
SMILESCc1ccc(-c2ccccc2-c2ccccc2)cc1.O=P(O)(O)O
InChIInChI=1S/C19H16.H3O4P/c1-15-11-13-17(14-12-15)19-10-6-5-9-18(19)16-7-3-2-4-8-16;1-5(2,3)4/h2-14H,1H3;(H3,1,2,3,4)
InChIKeyWKPXASVCXGJPNW-UHFFFAOYSA-N
XLogP4.40
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
[2-(4-phenylphenyl)phenyl]phosphonic acid
CID 175600433
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
(4-methylphenyl)-(4-methyl-2-phenylphenoxy)phosphinic acid
CID 87624270
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
5-methyl-4-phenyl-1H-pyrazole;phosphoric acid
CID 154878944
1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene
CID 140972747

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid?
The IUPAC name of 1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid (CID 67896941) is 1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid.
What is the SMILES notation for 1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid?
The canonical SMILES for 1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid is Cc1ccc(-c2ccccc2-c2ccccc2)cc1.O=P(O)(O)O.
What is the InChIKey of 1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid?
The InChIKey is WKPXASVCXGJPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.H3O4P/c1-15-11-13-17(14-12-15)19-10-6-5-9-18(19)16-7-3-2-4-8-16;1-5(2,3)4/h2-14H,1H3;(H3,1,2,3,4).
What are the key properties of 1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid?
1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid has a molecular weight of 342.33 g/mol, XLogP of 4.40, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid is sourced from PubChem (CID 67896941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).