4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene

C10H10ClNO3 — CID 71758415

IUPAC4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1OCC1CC1
InChIInChI=1S/C10H10ClNO3/c11-8-3-4-10(9(5-8)12(13)14)15-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyJKOLPQRPTIVLSC-UHFFFAOYSA-N
MW227.65 g/mol
LogP3.04
Rot. Bonds4

About 4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene

4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene (PubChem CID 71758415) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene.

Molecular Properties

Compound Name4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene
PubChem CID71758415
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1OCC1CC1
InChIInChI=1S/C10H10ClNO3/c11-8-3-4-10(9(5-8)12(13)14)15-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyJKOLPQRPTIVLSC-UHFFFAOYSA-N
XLogP3.04
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 53.04
H-Bond Donors ≤ 50
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-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
1-chloro-2-(cyclopropylmethoxy)-4-fluoro-5-nitrobenzene
CID 170769064
[4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol
CID 106825751
2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
3-(4-chloro-2-nitrophenoxy)propan-1-ol
CID 43509924
4-(bromomethyl)-1-(cyclohexylmethoxy)-2-nitrobenzene
CID 43324624
4-chloro-1-(2-methylprop-2-enoxy)-2-nitrobenzene
CID 46850457
4-(chloromethyl)-1-(cyclopropylmethoxymethoxy)-2-nitrobenzene
CID 106929865
4-chloro-2-nitro-1-pent-4-ynoxybenzene
CID 115870869
(2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol
CID 106933009
2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene
CID 140975291
4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene?
The IUPAC name of 4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene (CID 71758415) is 4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene.
What is the SMILES notation for 4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene?
The canonical SMILES for 4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene is O=[N+]([O-])c1cc(Cl)ccc1OCC1CC1.
What is the InChIKey of 4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene?
The InChIKey is JKOLPQRPTIVLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-8-3-4-10(9(5-8)12(13)14)15-6-7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene?
4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene has a molecular weight of 227.65 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene is sourced from PubChem (CID 71758415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).