butane;4-methylphenol;neodymium

C15H26NdO-2 — CID 175187001

IUPACbutane;4-methylphenol;neodymium
SMILESCc1ccc(O)cc1.[CH2-]CCC.[CH2-]CCC.[Nd]
InChIInChI=1S/C7H8O.2C4H9.Nd/c1-6-2-4-7(8)5-3-6;2*1-3-4-2;/h2-5,8H,1H3;2*1,3-4H2,2H3;/q;2*-1;
InChIKeyCCFZZCLNEFWXKL-UHFFFAOYSA-N
MW366.61 g/mol
LogP4.94
Rot. Bonds2

About butane;4-methylphenol;neodymium

butane;4-methylphenol;neodymium (PubChem CID 175187001) has the molecular formula C15H26NdO-2 and a molecular weight of 366.61 g/mol. Its IUPAC name is butane;4-methylphenol;neodymium.

Molecular Properties

Compound Namebutane;4-methylphenol;neodymium
PubChem CID175187001
Molecular FormulaC15H26NdO-2
Molecular Weight366.61 g/mol
Exact Mass364.11
IUPAC Namebutane;4-methylphenol;neodymium
SMILESCc1ccc(O)cc1.[CH2-]CCC.[CH2-]CCC.[Nd]
InChIInChI=1S/C7H8O.2C4H9.Nd/c1-6-2-4-7(8)5-3-6;2*1-3-4-2;/h2-5,8H,1H3;2*1,3-4H2,2H3;/q;2*-1;
InChIKeyCCFZZCLNEFWXKL-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.61
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methylphenol
CID 70549076
bis(4-methylphenol);tetrahydrochloride
CID 175346853
4-methylphenol;hydrate
CID 71777661
butane;2-methylbutane;4-methylphenol
CID 155694307
chromium;bis(4-methylphenol);chloride
CID 172752271
4-methylphenol;pentan-2-ol
CID 159232980
ethane;4-(4-methylphenyl)phenol
CID 161379556
4-methylphenol;2-methylpropane
CID 91606636
boric acid;4-methylphenol
CID 67912006
2-methylhexane;4-methylphenol
CID 144980508
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
4-[1-(4-hydroxyphenyl)-2-(4-methylphenyl)pent-1-enyl]phenol
CID 143470528

Frequently Asked Questions

What is the IUPAC name of butane;4-methylphenol;neodymium?
The IUPAC name of butane;4-methylphenol;neodymium (CID 175187001) is butane;4-methylphenol;neodymium.
What is the SMILES notation for butane;4-methylphenol;neodymium?
The canonical SMILES for butane;4-methylphenol;neodymium is Cc1ccc(O)cc1.[CH2-]CCC.[CH2-]CCC.[Nd].
What is the InChIKey of butane;4-methylphenol;neodymium?
The InChIKey is CCFZZCLNEFWXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.2C4H9.Nd/c1-6-2-4-7(8)5-3-6;2*1-3-4-2;/h2-5,8H,1H3;2*1,3-4H2,2H3;/q;2*-1;.
What are the key properties of butane;4-methylphenol;neodymium?
butane;4-methylphenol;neodymium has a molecular weight of 366.61 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4-methylphenol;neodymium is sourced from PubChem (CID 175187001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).