7-(4-anilinophenyl)heptan-2-ol

C19H25NO — CID 101298242

IUPAC7-(4-anilinophenyl)heptan-2-ol
SMILESCC(O)CCCCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-16(21)8-4-2-5-9-17-12-14-19(15-13-17)20-18-10-6-3-7-11-18/h3,6-7,10-16,20-21H,2,4-5,8-9H2,1H3
InChIKeyQCUFXDBKKSASSN-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.91
Rot. Bonds8

About 7-(4-anilinophenyl)heptan-2-ol

7-(4-anilinophenyl)heptan-2-ol (PubChem CID 101298242) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 7-(4-anilinophenyl)heptan-2-ol.

Molecular Properties

Compound Name7-(4-anilinophenyl)heptan-2-ol
PubChem CID101298242
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name7-(4-anilinophenyl)heptan-2-ol
SMILESCC(O)CCCCCc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-16(21)8-4-2-5-9-17-12-14-19(15-13-17)20-18-10-6-3-7-11-18/h3,6-7,10-16,20-21H,2,4-5,8-9H2,1H3
InChIKeyQCUFXDBKKSASSN-UHFFFAOYSA-N
XLogP4.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.91
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

15-(4-anilinophenyl)pentadecan-2-ol
CID 101298326
10-(4-anilinophenyl)decan-2-ol
CID 101298266
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 7-(4-anilinophenyl)heptan-2-ol?
The IUPAC name of 7-(4-anilinophenyl)heptan-2-ol (CID 101298242) is 7-(4-anilinophenyl)heptan-2-ol.
What is the SMILES notation for 7-(4-anilinophenyl)heptan-2-ol?
The canonical SMILES for 7-(4-anilinophenyl)heptan-2-ol is CC(O)CCCCCc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 7-(4-anilinophenyl)heptan-2-ol?
The InChIKey is QCUFXDBKKSASSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(21)8-4-2-5-9-17-12-14-19(15-13-17)20-18-10-6-3-7-11-18/h3,6-7,10-16,20-21H,2,4-5,8-9H2,1H3.
What are the key properties of 7-(4-anilinophenyl)heptan-2-ol?
7-(4-anilinophenyl)heptan-2-ol has a molecular weight of 283.42 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-anilinophenyl)heptan-2-ol is sourced from PubChem (CID 101298242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).