6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol

C20H25NO2 — CID 166905123

IUPAC6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol
SMILESNc1ccc(/C=C/c2ccc(OCCCCCCO)cc2)cc1
InChIInChI=1S/C20H25NO2/c21-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)23-16-4-2-1-3-15-22/h5-14,22H,1-4,15-16,21H2/b6-5+
InChIKeyUDINVZWYGBTWGK-AATRIKPKSA-N
MW311.43 g/mol
LogP4.37
Rot. Bonds9

About 6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol

6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol (PubChem CID 166905123) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol
PubChem CID166905123
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol
SMILESNc1ccc(/C=C/c2ccc(OCCCCCCO)cc2)cc1
InChIInChI=1S/C20H25NO2/c21-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)23-16-4-2-1-3-15-22/h5-14,22H,1-4,15-16,21H2/b6-5+
InChIKeyUDINVZWYGBTWGK-AATRIKPKSA-N
XLogP4.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-(6-hydroxyhexoxy)phenyl]ethenyl]benzonitrile
CID 139661077
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
CID 154936794
3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid
CID 70144087
4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid
CID 69438444
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline
CID 155928980
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506
[4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone
CID 144696670
benzene-1,4-diamine;hexane-1,6-diol
CID 139054112

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol?
The IUPAC name of 6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol (CID 166905123) is 6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol is Nc1ccc(/C=C/c2ccc(OCCCCCCO)cc2)cc1.
What is the InChIKey of 6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol?
The InChIKey is UDINVZWYGBTWGK-AATRIKPKSA-N. The full InChI is InChI=1S/C20H25NO2/c21-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)23-16-4-2-1-3-15-22/h5-14,22H,1-4,15-16,21H2/b6-5+.
What are the key properties of 6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol?
6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol has a molecular weight of 311.43 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol is sourced from PubChem (CID 166905123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).