2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene

C18H19NO4 — CID 18778842

IUPAC2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
SMILESCOc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1
InChIInChI=1S/C18H19NO4/c1-22-17-11-8-14(12-18(17)23-16-4-2-3-5-16)13-6-9-15(10-7-13)19(20)21/h6-12,16H,2-5H2,1H3
InChIKeyJGXXBSJCHVBKII-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.59
Rot. Bonds5

About 2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene

2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene (PubChem CID 18778842) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene.

Molecular Properties

Compound Name2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
PubChem CID18778842
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
SMILESCOc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1
InChIInChI=1S/C18H19NO4/c1-22-17-11-8-14(12-18(17)23-16-4-2-3-5-16)13-6-9-15(10-7-13)19(20)21/h6-12,16H,2-5H2,1H3
InChIKeyJGXXBSJCHVBKII-UHFFFAOYSA-N
XLogP4.59
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.59
H-Bond Donors ≤ 50
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-(3-methoxyphenyl)benzene
CID 18778852
trans-(1S,2S)-2-(2-methoxy-5-nitrophenoxy)cyclohexan-1-ol
CID 102732545
1-cyclopentyloxy-4-nitrobenzene
CID 19616619
2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline
CID 170769157
2-cyclohexyloxy-5-nitrobenzonitrile
CID 22227856
2-cyclopentyloxy-4-(3-nitrophenyl)phenol
CID 18778849
methyl (5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 10640392
4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one
CID 25133793
3-(3-cyclopentyloxy-4-methoxyphenyl)-N-[(4-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 54477275
1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine
CID 43472649
N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]acetamide
CID 21472770
6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-2-[(3-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one
CID 18623347

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene?
The IUPAC name of 2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene (CID 18778842) is 2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene.
What is the SMILES notation for 2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene?
The canonical SMILES for 2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene is COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene?
The InChIKey is JGXXBSJCHVBKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-22-17-11-8-14(12-18(17)23-16-4-2-3-5-16)13-6-9-15(10-7-13)19(20)21/h6-12,16H,2-5H2,1H3.
What are the key properties of 2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene?
2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene has a molecular weight of 313.35 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene is sourced from PubChem (CID 18778842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).