2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol

C13H21OP — CID 176967790

IUPAC2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol
SMILESCCCC(C)C(O)c1ccc(C)c(P)c1
InChIInChI=1S/C13H21OP/c1-4-5-10(3)13(14)11-7-6-9(2)12(15)8-11/h6-8,10,13-14H,4-5,15H2,1-3H3
InChIKeyHDYMBZMRNFGXLK-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.97
Rot. Bonds4

About 2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol

2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol (PubChem CID 176967790) has the molecular formula C13H21OP and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol
PubChem CID176967790
Molecular FormulaC13H21OP
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol
SMILESCCCC(C)C(O)c1ccc(C)c(P)c1
InChIInChI=1S/C13H21OP/c1-4-5-10(3)13(14)11-7-6-9(2)12(15)8-11/h6-8,10,13-14H,4-5,15H2,1-3H3
InChIKeyHDYMBZMRNFGXLK-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.97
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

1-(3,5-dimethylphenyl)-2-methylpentan-1-ol
CID 63901831
1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol
CID 107893070
2-methyl-1-(2-methyl-4-pyridinyl)pentan-1-ol
CID 107894619
2-methyl-1-(5-methylfuran-3-yl)pentan-1-ol
CID 107894707
1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol
CID 61100359
1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 79697692
1-dibenzofuran-2-yl-2-methylpentan-1-ol
CID 63426339
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
CID 61082441
7-(1-hydroxy-2-methylpentyl)-2-methyl-4H-isoquinoline-1,3-dione
CID 63104651
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol
CID 107892620
1-[2-amino-5-[1-[4-amino-3-(1-hydroxy-2-methylpentyl)phenyl]-2-methylpentyl]phenyl]-2-methylpentan-1-ol
CID 89000820
2-methyl-1-(3-methyl-2-pyridinyl)pentan-1-ol
CID 107892875

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol?
The IUPAC name of 2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol (CID 176967790) is 2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol.
What is the SMILES notation for 2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol?
The canonical SMILES for 2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol is CCCC(C)C(O)c1ccc(C)c(P)c1.
What is the InChIKey of 2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol?
The InChIKey is HDYMBZMRNFGXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21OP/c1-4-5-10(3)13(14)11-7-6-9(2)12(15)8-11/h6-8,10,13-14H,4-5,15H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol?
2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol has a molecular weight of 224.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol is sourced from PubChem (CID 176967790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).