10-(4-anilinophenyl)decan-2-ol

C22H31NO — CID 101298266

IUPAC10-(4-anilinophenyl)decan-2-ol
SMILESCC(O)CCCCCCCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H31NO/c1-19(24)11-7-4-2-3-5-8-12-20-15-17-22(18-16-20)23-21-13-9-6-10-14-21/h6,9-10,13-19,23-24H,2-5,7-8,11-12H2,1H3
InChIKeyWTHHCJFRGGTASV-UHFFFAOYSA-N
MW325.50 g/mol
LogP6.08
Rot. Bonds11

About 10-(4-anilinophenyl)decan-2-ol

10-(4-anilinophenyl)decan-2-ol (PubChem CID 101298266) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 10-(4-anilinophenyl)decan-2-ol.

Molecular Properties

Compound Name10-(4-anilinophenyl)decan-2-ol
PubChem CID101298266
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name10-(4-anilinophenyl)decan-2-ol
SMILESCC(O)CCCCCCCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H31NO/c1-19(24)11-7-4-2-3-5-8-12-20-15-17-22(18-16-20)23-21-13-9-6-10-14-21/h6,9-10,13-19,23-24H,2-5,7-8,11-12H2,1H3
InChIKeyWTHHCJFRGGTASV-UHFFFAOYSA-N
XLogP6.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 56.08
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

7-(4-anilinophenyl)heptan-2-ol
CID 101298242
15-(4-anilinophenyl)pentadecan-2-ol
CID 101298326
10-(4-anilinophenyl)decan-5-ol
CID 101298269
1-(4-anilinophenyl)octadecan-8-ol
CID 101298383
1-(4-anilinophenyl)pentadecan-8-ol
CID 101298332
17-(4-anilinophenyl)heptadecan-5-ol
CID 101298360
1-(4-anilinophenyl)tridecan-5-ol
CID 101298306
1-(4-anilinophenyl)undecan-4-ol
CID 101298282
12-(4-anilinophenyl)dodecan-1-ol
CID 101298286
ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline
CID 91580530
6-naphthalen-2-ylhexan-2-ol
CID 19933710
2-methyl-6-[4-(pyrimidin-2-ylamino)phenyl]hexanoic acid
CID 143251064

Frequently Asked Questions

What is the IUPAC name of 10-(4-anilinophenyl)decan-2-ol?
The IUPAC name of 10-(4-anilinophenyl)decan-2-ol (CID 101298266) is 10-(4-anilinophenyl)decan-2-ol.
What is the SMILES notation for 10-(4-anilinophenyl)decan-2-ol?
The canonical SMILES for 10-(4-anilinophenyl)decan-2-ol is CC(O)CCCCCCCCc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 10-(4-anilinophenyl)decan-2-ol?
The InChIKey is WTHHCJFRGGTASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-19(24)11-7-4-2-3-5-8-12-20-15-17-22(18-16-20)23-21-13-9-6-10-14-21/h6,9-10,13-19,23-24H,2-5,7-8,11-12H2,1H3.
What are the key properties of 10-(4-anilinophenyl)decan-2-ol?
10-(4-anilinophenyl)decan-2-ol has a molecular weight of 325.50 g/mol, XLogP of 6.08, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-anilinophenyl)decan-2-ol is sourced from PubChem (CID 101298266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).