4-anilino-3-octylphenol

C20H27NO — CID 101298415

IUPAC4-anilino-3-octylphenol
SMILESCCCCCCCCc1cc(O)ccc1Nc1ccccc1
InChIInChI=1S/C20H27NO/c1-2-3-4-5-6-8-11-17-16-19(22)14-15-20(17)21-18-12-9-7-10-13-18/h7,9-10,12-16,21-22H,2-6,8,11H2,1H3
InChIKeyOKXZYWOIBVYGAG-UHFFFAOYSA-N
MW297.44 g/mol
LogP6.04
Rot. Bonds9

About 4-anilino-3-octylphenol

4-anilino-3-octylphenol (PubChem CID 101298415) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-anilino-3-octylphenol.

Molecular Properties

Compound Name4-anilino-3-octylphenol
PubChem CID101298415
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name4-anilino-3-octylphenol
SMILESCCCCCCCCc1cc(O)ccc1Nc1ccccc1
InChIInChI=1S/C20H27NO/c1-2-3-4-5-6-8-11-17-16-19(22)14-15-20(17)21-18-12-9-7-10-13-18/h7,9-10,12-16,21-22H,2-6,8,11H2,1H3
InChIKeyOKXZYWOIBVYGAG-UHFFFAOYSA-N
XLogP6.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pentyl-N-phenylaniline
CID 20516677
2,3-dihexadecyl-N-phenylaniline
CID 139699998
2-tridecylbenzene-1,4-diol
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4-(3-heptadecylanilino)phenol
CID 101298463
4-(3-nonylanilino)phenol
CID 101298423
4-anilino-1-hexylnaphthalen-2-ol
CID 174948539
CID 70369806
CID 70369806
CID 70568956
CID 70568956
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
4-bromo-3-hexylphenol
CID 15007737
4-hydroxy-2-pentadecylbenzoic acid
CID 69021357
4-hydroxy-2-octadecylbenzoic acid
CID 23112599

Frequently Asked Questions

What is the IUPAC name of 4-anilino-3-octylphenol?
The IUPAC name of 4-anilino-3-octylphenol (CID 101298415) is 4-anilino-3-octylphenol.
What is the SMILES notation for 4-anilino-3-octylphenol?
The canonical SMILES for 4-anilino-3-octylphenol is CCCCCCCCc1cc(O)ccc1Nc1ccccc1.
What is the InChIKey of 4-anilino-3-octylphenol?
The InChIKey is OKXZYWOIBVYGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-2-3-4-5-6-8-11-17-16-19(22)14-15-20(17)21-18-12-9-7-10-13-18/h7,9-10,12-16,21-22H,2-6,8,11H2,1H3.
What are the key properties of 4-anilino-3-octylphenol?
4-anilino-3-octylphenol has a molecular weight of 297.44 g/mol, XLogP of 6.04, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3-octylphenol is sourced from PubChem (CID 101298415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).