(4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate

C18H23O4P — CID 139623826

IUPAC(4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate
SMILESCCCc1c(OP(=O)(O)O)ccc(-c2ccccc2)c1CCC
InChIInChI=1S/C18H23O4P/c1-3-8-16-15(14-10-6-5-7-11-14)12-13-18(17(16)9-4-2)22-23(19,20)21/h5-7,10-13H,3-4,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyAPYWKBIIZUXKRU-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.73
Rot. Bonds7

About (4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate

(4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate (PubChem CID 139623826) has the molecular formula C18H23O4P and a molecular weight of 334.35 g/mol. Its IUPAC name is (4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate
PubChem CID139623826
Molecular FormulaC18H23O4P
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name(4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate
SMILESCCCc1c(OP(=O)(O)O)ccc(-c2ccccc2)c1CCC
InChIInChI=1S/C18H23O4P/c1-3-8-16-15(14-10-6-5-7-11-14)12-13-18(17(16)9-4-2)22-23(19,20)21/h5-7,10-13H,3-4,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyAPYWKBIIZUXKRU-UHFFFAOYSA-N
XLogP4.73
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2,3-di(nonyl)-4-phenylphenyl] dihydrogen phosphate
CID 22481171
ethoxyethane;(2-phenylphenyl) dihydrogen phosphate
CID 67681230
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
(3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate
CID 141453067
(2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate
CID 21468984
(2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate
CID 139830471
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
[4-(2-methylphenyl)-2,3-dipropylphenyl] hydrogen carbonate
CID 67180798
(2,3-diethyl-4-methylphenyl) dihydrogen phosphate
CID 154150243
[2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate
CID 68740859
(2-nonadecylphenyl) dihydrogen phosphate
CID 122612109
(2-nonylphenyl) dihydrogen phosphate
CID 14048761

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate?
The IUPAC name of (4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate (CID 139623826) is (4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate.
What is the SMILES notation for (4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate?
The canonical SMILES for (4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate is CCCc1c(OP(=O)(O)O)ccc(-c2ccccc2)c1CCC.
What is the InChIKey of (4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate?
The InChIKey is APYWKBIIZUXKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O4P/c1-3-8-16-15(14-10-6-5-7-11-14)12-13-18(17(16)9-4-2)22-23(19,20)21/h5-7,10-13H,3-4,8-9H2,1-2H3,(H2,19,20,21).
What are the key properties of (4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate?
(4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate has a molecular weight of 334.35 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate is sourced from PubChem (CID 139623826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).