[4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium

C10H13ClO3P+ — CID 70486859

IUPAC[4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium
SMILESCC(O)(CCc1ccc(Cl)cc1)[P+](=O)O
InChIInChI=1S/C10H12ClO3P/c1-10(12,15(13)14)7-6-8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3/p+1
InChIKeyGWHWKTCESKKYSK-UHFFFAOYSA-O
MW247.64 g/mol
LogP2.72
Rot. Bonds4

About [4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium

[4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium (PubChem CID 70486859) has the molecular formula C10H13ClO3P+ and a molecular weight of 247.64 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium
PubChem CID70486859
Molecular FormulaC10H13ClO3P+
Molecular Weight247.64 g/mol
Exact Mass247.03
IUPAC Name[4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium
SMILESCC(O)(CCc1ccc(Cl)cc1)[P+](=O)O
InChIInChI=1S/C10H12ClO3P/c1-10(12,15(13)14)7-6-8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3/p+1
InChIKeyGWHWKTCESKKYSK-UHFFFAOYSA-O
XLogP2.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 52.72
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-chloro-4-(4-chlorophenyl)-2-methylbutanamide
CID 67225206
7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid
CID 150559838
4-(4-chlorophenyl)-2-ethyl-2-methylbutanoic acid
CID 171407879
1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 111122688
2-(3-tert-butyl-1,2,4-triazol-1-yl)-4-(4-chlorophenyl)butan-2-ol
CID 54291308
1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium)
CID 87621228
2-(4-chlorophenyl)ethyl 3,3-dimethyl-2-oxobutanoate
CID 155660628
2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
CID 52906943
2-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-2-methylbutan-1-ol
CID 66768430
N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine
CID 65304678
4-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol
CID 82471704
(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid
CID 130693679

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium?
The IUPAC name of [4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium (CID 70486859) is [4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium.
What is the SMILES notation for [4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium?
The canonical SMILES for [4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium is CC(O)(CCc1ccc(Cl)cc1)[P+](=O)O.
What is the InChIKey of [4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium?
The InChIKey is GWHWKTCESKKYSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12ClO3P/c1-10(12,15(13)14)7-6-8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3/p+1.
What are the key properties of [4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium?
[4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium has a molecular weight of 247.64 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium is sourced from PubChem (CID 70486859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).