1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene

C10H10ClNO4 — CID 71300245

IUPAC1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene
SMILESC=CCOc1cc(Cl)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClNO4/c1-3-4-16-10-5-7(11)9(15-2)6-8(10)12(13)14/h3,5-6H,1,4H2,2H3
InChIKeyMHMWUJICADEBHR-UHFFFAOYSA-N
MW243.65 g/mol
LogP2.82
Rot. Bonds5

About 1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene

1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene (PubChem CID 71300245) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is 1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene
PubChem CID71300245
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene
SMILESC=CCOc1cc(Cl)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClNO4/c1-3-4-16-10-5-7(11)9(15-2)6-8(10)12(13)14/h3,5-6H,1,4H2,2H3
InChIKeyMHMWUJICADEBHR-UHFFFAOYSA-N
XLogP2.82
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
CID 174813767
5-chloro-4-nitro-2-prop-2-enoxyaniline
CID 21075374
ethane;4-methoxy-1-nitro-2-prop-2-enoxybenzene
CID 143133344
5-methoxy-2-nitro-4-prop-2-enoxybenzoic acid
CID 10944934
2-[(5-chloro-4-methoxy-2-nitrophenoxy)methyl]-5,5-dimethylhex-1-en-3-one
CID 172547295
2-(5-chloro-4-methoxy-2-nitrophenyl)acetic acid
CID 171003063
1-nitro-2,4-bis(prop-2-enoxy)benzene
CID 46210791
1-chloro-4-nitro-2,5-dioctoxybenzene
CID 19040188
1-ethenyl-2,5-dimethoxy-4-nitrobenzene
CID 54152856
5-chloro-4-methoxy-2-nitrobenzoic acid
CID 21388739
2-fluoro-5-nitro-4-prop-2-enoxybenzenesulfonyl chloride
CID 82909970
1-(5-methoxy-2-nitro-4-prop-2-enoxyphenyl)ethanone;1-(3-methoxy-4-prop-2-enoxyphenyl)ethanone
CID 160898664

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene?
The IUPAC name of 1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene (CID 71300245) is 1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene.
What is the SMILES notation for 1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene?
The canonical SMILES for 1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene is C=CCOc1cc(Cl)c(OC)cc1[N+](=O)[O-].
What is the InChIKey of 1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene?
The InChIKey is MHMWUJICADEBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-3-4-16-10-5-7(11)9(15-2)6-8(10)12(13)14/h3,5-6H,1,4H2,2H3.
What are the key properties of 1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene?
1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene has a molecular weight of 243.65 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene is sourced from PubChem (CID 71300245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).