(2-butylphenyl)-trihydroxy-methyl-λ5-phosphane

C11H19O3P — CID 151904469

IUPAC(2-butylphenyl)-trihydroxy-methyl-λ5-phosphane
SMILESCCCCc1ccccc1P(C)(O)(O)O
InChIInChI=1S/C11H19O3P/c1-3-4-7-10-8-5-6-9-11(10)15(2,12,13)14/h5-6,8-9,12-14H,3-4,7H2,1-2H3
InChIKeyKZICNOXSOUEGLS-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.56
Rot. Bonds4

About (2-butylphenyl)-trihydroxy-methyl-λ5-phosphane

(2-butylphenyl)-trihydroxy-methyl-λ5-phosphane (PubChem CID 151904469) has the molecular formula C11H19O3P and a molecular weight of 230.24 g/mol. Its IUPAC name is (2-butylphenyl)-trihydroxy-methyl-λ5-phosphane.

Molecular Properties

Compound Name(2-butylphenyl)-trihydroxy-methyl-λ5-phosphane
PubChem CID151904469
Molecular FormulaC11H19O3P
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name(2-butylphenyl)-trihydroxy-methyl-λ5-phosphane
SMILESCCCCc1ccccc1P(C)(O)(O)O
InChIInChI=1S/C11H19O3P/c1-3-4-7-10-8-5-6-9-11(10)15(2,12,13)14/h5-6,8-9,12-14H,3-4,7H2,1-2H3
InChIKeyKZICNOXSOUEGLS-UHFFFAOYSA-N
XLogP1.56
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-butylphenyl)-trihydroxy-methyl-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 159940559
CID 159940559
1-(8-bromooctyl)-2-butylbenzene
CID 18786581
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
CID 173139810
CID 173139810
1-methyl-2-pentylbenzene
CID 524553
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
1-butyl-2-(2,2-dibromoethenyl)benzene
CID 141180413
1,2-dihexylbenzene;hydrate
CID 172833093

Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl)-trihydroxy-methyl-λ5-phosphane?
The IUPAC name of (2-butylphenyl)-trihydroxy-methyl-λ5-phosphane (CID 151904469) is (2-butylphenyl)-trihydroxy-methyl-λ5-phosphane.
What is the SMILES notation for (2-butylphenyl)-trihydroxy-methyl-λ5-phosphane?
The canonical SMILES for (2-butylphenyl)-trihydroxy-methyl-λ5-phosphane is CCCCc1ccccc1P(C)(O)(O)O.
What is the InChIKey of (2-butylphenyl)-trihydroxy-methyl-λ5-phosphane?
The InChIKey is KZICNOXSOUEGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O3P/c1-3-4-7-10-8-5-6-9-11(10)15(2,12,13)14/h5-6,8-9,12-14H,3-4,7H2,1-2H3.
What are the key properties of (2-butylphenyl)-trihydroxy-methyl-λ5-phosphane?
(2-butylphenyl)-trihydroxy-methyl-λ5-phosphane has a molecular weight of 230.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylphenyl)-trihydroxy-methyl-λ5-phosphane is sourced from PubChem (CID 151904469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).