4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol

C19H21NO3 — CID 57194666

IUPAC4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol
SMILESO=[N+]([O-])c1ccc(CC(c2ccc(O)cc2)C2CCCC2)cc1
InChIInChI=1S/C19H21NO3/c21-18-11-7-16(8-12-18)19(15-3-1-2-4-15)13-14-5-9-17(10-6-14)20(22)23/h5-12,15,19,21H,1-4,13H2
InChIKeyMQVSGMYHHDAMMI-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.82
Rot. Bonds5

About 4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol

4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol (PubChem CID 57194666) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol
PubChem CID57194666
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol
SMILESO=[N+]([O-])c1ccc(CC(c2ccc(O)cc2)C2CCCC2)cc1
InChIInChI=1S/C19H21NO3/c21-18-11-7-16(8-12-18)19(15-3-1-2-4-15)13-14-5-9-17(10-6-14)20(22)23/h5-12,15,19,21H,1-4,13H2
InChIKeyMQVSGMYHHDAMMI-UHFFFAOYSA-N
XLogP4.82
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol
CID 151360371
[1-chloro-2-(4-nitrophenyl)ethyl]cycloheptane
CID 63542815
4-[2-[3-cyclohexyl-4-(4-nitrophenyl)phenyl]propyl]phenol
CID 70407574
(1R)-1,2-bis(4-nitrophenyl)ethanol
CID 7046140
1-(2-chloro-3-cyclopentylpropyl)-4-nitrobenzene
CID 55224063
4-nitrophenol
CID 88714583
2-cyclopentyl-2-(4-nitrophenyl)acetic acid
CID 67078544
4-nitrophenol;phosphane
CID 157153413
4-[3-methyl-2-[(4-nitrophenyl)methyl]pentyl]phenol
CID 57032263
4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol
CID 57008616
calcium;hydride;4-nitrophenol
CID 173414286
2-cyclopentyl-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 162656374

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol?
The IUPAC name of 4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol (CID 57194666) is 4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol.
What is the SMILES notation for 4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol?
The canonical SMILES for 4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol is O=[N+]([O-])c1ccc(CC(c2ccc(O)cc2)C2CCCC2)cc1.
What is the InChIKey of 4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol?
The InChIKey is MQVSGMYHHDAMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-18-11-7-16(8-12-18)19(15-3-1-2-4-15)13-14-5-9-17(10-6-14)20(22)23/h5-12,15,19,21H,1-4,13H2.
What are the key properties of 4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol?
4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol has a molecular weight of 311.38 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopentyl-2-(4-nitrophenyl)ethyl]phenol is sourced from PubChem (CID 57194666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).