2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol

C18H31OP — CID 155135729

IUPAC2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol
SMILESCCCC(C)(O)c1ccc(C(CP)CC(C)(C)C)cc1
InChIInChI=1S/C18H31OP/c1-6-11-18(5,19)16-9-7-14(8-10-16)15(13-20)12-17(2,3)4/h7-10,15,19H,6,11-13,20H2,1-5H3
InChIKeyFCBLDXVXBSREMV-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.09
Rot. Bonds6

About 2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol

2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol (PubChem CID 155135729) has the molecular formula C18H31OP and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol.

Molecular Properties

Compound Name2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol
PubChem CID155135729
Molecular FormulaC18H31OP
Molecular Weight294.42 g/mol
Exact Mass294.21
IUPAC Name2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol
SMILESCCCC(C)(O)c1ccc(C(CP)CC(C)(C)C)cc1
InChIInChI=1S/C18H31OP/c1-6-11-18(5,19)16-9-7-14(8-10-16)15(13-20)12-17(2,3)4/h7-10,15,19H,6,11-13,20H2,1-5H3
InChIKeyFCBLDXVXBSREMV-UHFFFAOYSA-N
XLogP5.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane
CID 134293506
1,1,1,3,3,3-hexafluoro-2-[4-(2,2,6,6-tetramethylheptan-4-yl)phenyl]propan-2-ol
CID 123480330
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
2-(4-pentan-3-ylphenyl)propan-2-ol
CID 117295268
(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
CID 97294137
(2R)-2-[4-(diethylamino)phenyl]pentan-2-ol
CID 97294292
2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid
CID 59034872
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385
[1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane
CID 144560796
4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol
CID 147387677
1-(5,5-dimethylhexan-3-yl)-4-(1-methoxy-2,2-dimethylpropoxy)benzene
CID 123140500

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol?
The IUPAC name of 2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol (CID 155135729) is 2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol.
What is the SMILES notation for 2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol?
The canonical SMILES for 2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol is CCCC(C)(O)c1ccc(C(CP)CC(C)(C)C)cc1.
What is the InChIKey of 2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol?
The InChIKey is FCBLDXVXBSREMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31OP/c1-6-11-18(5,19)16-9-7-14(8-10-16)15(13-20)12-17(2,3)4/h7-10,15,19H,6,11-13,20H2,1-5H3.
What are the key properties of 2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol?
2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol has a molecular weight of 294.42 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol is sourced from PubChem (CID 155135729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).