4-anilino-1-hexylnaphthalen-2-ol

C22H25NO — CID 174948539

IUPAC4-anilino-1-hexylnaphthalen-2-ol
SMILESCCCCCCc1c(O)cc(Nc2ccccc2)c2ccccc12
InChIInChI=1S/C22H25NO/c1-2-3-4-8-15-20-18-13-9-10-14-19(18)21(16-22(20)24)23-17-11-6-5-7-12-17/h5-7,9-14,16,23-24H,2-4,8,15H2,1H3
InChIKeyQWFBJBFZTFLXCA-UHFFFAOYSA-N
MW319.45 g/mol
LogP6.41
Rot. Bonds7

About 4-anilino-1-hexylnaphthalen-2-ol

4-anilino-1-hexylnaphthalen-2-ol (PubChem CID 174948539) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-anilino-1-hexylnaphthalen-2-ol.

Molecular Properties

Compound Name4-anilino-1-hexylnaphthalen-2-ol
PubChem CID174948539
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name4-anilino-1-hexylnaphthalen-2-ol
SMILESCCCCCCc1c(O)cc(Nc2ccccc2)c2ccccc12
InChIInChI=1S/C22H25NO/c1-2-3-4-8-15-20-18-13-9-10-14-19(18)21(16-22(20)24)23-17-11-6-5-7-12-17/h5-7,9-14,16,23-24H,2-4,8,15H2,1H3
InChIKeyQWFBJBFZTFLXCA-UHFFFAOYSA-N
XLogP6.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 101298415
2,3-dihexadecyl-N-phenylaniline
CID 139699998
2-pentyl-N-phenylaniline
CID 20516677
5-(2-phenylethenyl)-2-tetradecylbenzene-1,3-diol
CID 66842936
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CID 14672775
9-bromo-10-hexylanthracene
CID 141284839
1-heptyl-3-methylnaphthalen-2-ol
CID 135074977
4-(3-heptadecylanilino)phenol
CID 101298463
4-(3-nonylanilino)phenol
CID 101298423
2-pentylbenzene-1,3-diol
CID 15007741
2,3-dihexylbenzene-1,4-diol
CID 69329716
10-octylanthracen-9-amine
CID 87887624

Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-hexylnaphthalen-2-ol?
The IUPAC name of 4-anilino-1-hexylnaphthalen-2-ol (CID 174948539) is 4-anilino-1-hexylnaphthalen-2-ol.
What is the SMILES notation for 4-anilino-1-hexylnaphthalen-2-ol?
The canonical SMILES for 4-anilino-1-hexylnaphthalen-2-ol is CCCCCCc1c(O)cc(Nc2ccccc2)c2ccccc12.
What is the InChIKey of 4-anilino-1-hexylnaphthalen-2-ol?
The InChIKey is QWFBJBFZTFLXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-2-3-4-8-15-20-18-13-9-10-14-19(18)21(16-22(20)24)23-17-11-6-5-7-12-17/h5-7,9-14,16,23-24H,2-4,8,15H2,1H3.
What are the key properties of 4-anilino-1-hexylnaphthalen-2-ol?
4-anilino-1-hexylnaphthalen-2-ol has a molecular weight of 319.45 g/mol, XLogP of 6.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-hexylnaphthalen-2-ol is sourced from PubChem (CID 174948539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).