4-[(dimethylamino)methyl]-2-octylphenol

C17H29NO — CID 70503511

IUPAC4-[(dimethylamino)methyl]-2-octylphenol
SMILESCCCCCCCCc1cc(CN(C)C)ccc1O
InChIInChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-16-13-15(14-18(2)3)11-12-17(16)19/h11-13,19H,4-10,14H2,1-3H3
InChIKeyQOXACLDXYFMHDR-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.36
Rot. Bonds9

About 4-[(dimethylamino)methyl]-2-octylphenol

4-[(dimethylamino)methyl]-2-octylphenol (PubChem CID 70503511) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-2-octylphenol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-2-octylphenol
PubChem CID70503511
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-[(dimethylamino)methyl]-2-octylphenol
SMILESCCCCCCCCc1cc(CN(C)C)ccc1O
InChIInChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-16-13-15(14-18(2)3)11-12-17(16)19/h11-13,19H,4-10,14H2,1-3H3
InChIKeyQOXACLDXYFMHDR-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-nonyl-2-pentylphenol
CID 86162849
2-ethyl-4-heptylphenol
CID 58289223
2-tridecylbenzene-1,4-diol
CID 19033717
2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
CID 121386327
CID 70568956
CID 70568956
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
CID 70369806
CID 70369806
1-[1,1-dihydroxyethyl-[(5-heptyl-2-hydroxyphenyl)methyl]amino]ethane-1,1-diol
CID 101326365
lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine
CID 162333767
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
2-[2,2-dihydroxyethyl-[(2-hydroxy-5-octylphenyl)methyl]amino]ethane-1,1-diol
CID 101326369
2-[2,2-dihydroxyethyl-[(5-heptyl-2-hydroxyphenyl)methyl]amino]ethane-1,1-diol
CID 101326363

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-2-octylphenol?
The IUPAC name of 4-[(dimethylamino)methyl]-2-octylphenol (CID 70503511) is 4-[(dimethylamino)methyl]-2-octylphenol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-2-octylphenol?
The canonical SMILES for 4-[(dimethylamino)methyl]-2-octylphenol is CCCCCCCCc1cc(CN(C)C)ccc1O.
What is the InChIKey of 4-[(dimethylamino)methyl]-2-octylphenol?
The InChIKey is QOXACLDXYFMHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-16-13-15(14-18(2)3)11-12-17(16)19/h11-13,19H,4-10,14H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-2-octylphenol?
4-[(dimethylamino)methyl]-2-octylphenol has a molecular weight of 263.43 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-2-octylphenol is sourced from PubChem (CID 70503511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).