1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium

C16H20O3P+ — CID 174532098

IUPAC1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
SMILESCCCCc1ccccc1-c1ccccc1.O=[P+](O)O
InChIInChI=1S/C16H18.HO3P/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15;1-4(2)3/h4-8,10-13H,2-3,9H2,1H3;(H-,1,2,3)/p+1
InChIKeyBNRMTMZLEIMVHE-UHFFFAOYSA-O
MW291.31 g/mol
LogP4.32
Rot. Bonds4

About 1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium

1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium (PubChem CID 174532098) has the molecular formula C16H20O3P+ and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Name1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
PubChem CID174532098
Molecular FormulaC16H20O3P+
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
SMILESCCCCc1ccccc1-c1ccccc1.O=[P+](O)O
InChIInChI=1S/C16H18.HO3P/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15;1-4(2)3/h4-8,10-13H,2-3,9H2,1H3;(H-,1,2,3)/p+1
InChIKeyBNRMTMZLEIMVHE-UHFFFAOYSA-O
XLogP4.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
gold;1-pentyl-2-phenylbenzene
CID 174945702
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
CID 57000067
1-butyl-2-phenylbenzene;2H-tetrazole
CID 174693123
dihydroxy(oxo)phosphanium;1,2-dioctylbenzene
CID 67709665
1-butyl-2-(3-methylphenyl)benzene
CID 174352877
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
1-chloropentane;2-(2-phenylphenyl)ethanol
CID 174777739

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium?
The IUPAC name of 1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium (CID 174532098) is 1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium.
What is the SMILES notation for 1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium?
The canonical SMILES for 1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium is CCCCc1ccccc1-c1ccccc1.O=[P+](O)O.
What is the InChIKey of 1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium?
The InChIKey is BNRMTMZLEIMVHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18.HO3P/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15;1-4(2)3/h4-8,10-13H,2-3,9H2,1H3;(H-,1,2,3)/p+1.
What are the key properties of 1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium?
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium has a molecular weight of 291.31 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 174532098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).