2-cyclopentyloxy-4-(3-nitrophenyl)phenol

C17H17NO4 — CID 18778849

IUPAC2-cyclopentyloxy-4-(3-nitrophenyl)phenol
SMILESO=[N+]([O-])c1cccc(-c2ccc(O)c(OC3CCCC3)c2)c1
InChIInChI=1S/C17H17NO4/c19-16-9-8-13(11-17(16)22-15-6-1-2-7-15)12-4-3-5-14(10-12)18(20)21/h3-5,8-11,15,19H,1-2,6-7H2
InChIKeyVTOJHUBGELOKOR-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.29
Rot. Bonds4

About 2-cyclopentyloxy-4-(3-nitrophenyl)phenol

2-cyclopentyloxy-4-(3-nitrophenyl)phenol (PubChem CID 18778849) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-cyclopentyloxy-4-(3-nitrophenyl)phenol.

Molecular Properties

Compound Name2-cyclopentyloxy-4-(3-nitrophenyl)phenol
PubChem CID18778849
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-cyclopentyloxy-4-(3-nitrophenyl)phenol
SMILESO=[N+]([O-])c1cccc(-c2ccc(O)c(OC3CCCC3)c2)c1
InChIInChI=1S/C17H17NO4/c19-16-9-8-13(11-17(16)22-15-6-1-2-7-15)12-4-3-5-14(10-12)18(20)21/h3-5,8-11,15,19H,1-2,6-7H2
InChIKeyVTOJHUBGELOKOR-UHFFFAOYSA-N
XLogP4.29
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
CID 18778842
5-cyclopentyloxy-2,4-dinitrophenol
CID 139703889
2-cyclohexyloxy-5-nitrobenzonitrile
CID 22227856
N-(2-cyclohexyloxy-4-nitrophenyl)acetamide
CID 46830015
[2-(bromomethyl)-4-nitrophenoxy]cycloheptane
CID 82928848
2-cyclohexyloxy-6-nitrobenzoic acid
CID 107341200
2-hydroxy-4-(3-nitrophenyl)benzonitrile
CID 53219988
N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
CID 43472722
2-cyclopentyloxy-1-methoxy-4-(3-methoxyphenyl)benzene
CID 18778852
1-(cyclohexyloxymethyl)-3-nitrobenzene
CID 11264832
2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline
CID 170769157
2-(3-nitrophenoxy)cyclopentan-1-ol
CID 60878979

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-4-(3-nitrophenyl)phenol?
The IUPAC name of 2-cyclopentyloxy-4-(3-nitrophenyl)phenol (CID 18778849) is 2-cyclopentyloxy-4-(3-nitrophenyl)phenol.
What is the SMILES notation for 2-cyclopentyloxy-4-(3-nitrophenyl)phenol?
The canonical SMILES for 2-cyclopentyloxy-4-(3-nitrophenyl)phenol is O=[N+]([O-])c1cccc(-c2ccc(O)c(OC3CCCC3)c2)c1.
What is the InChIKey of 2-cyclopentyloxy-4-(3-nitrophenyl)phenol?
The InChIKey is VTOJHUBGELOKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-16-9-8-13(11-17(16)22-15-6-1-2-7-15)12-4-3-5-14(10-12)18(20)21/h3-5,8-11,15,19H,1-2,6-7H2.
What are the key properties of 2-cyclopentyloxy-4-(3-nitrophenyl)phenol?
2-cyclopentyloxy-4-(3-nitrophenyl)phenol has a molecular weight of 299.33 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-4-(3-nitrophenyl)phenol is sourced from PubChem (CID 18778849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).