1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene

C16H13Cl2NO4 — CID 1260860

IUPAC1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene
SMILESCOc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C16H13Cl2NO4/c1-22-15-9-11(6-7-19(20)21)8-14(18)16(15)23-10-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3/b7-6+
InChIKeyNFPZNAWYRMRAIM-VOTSOKGWSA-N
MW354.19 g/mol
LogP4.83
Rot. Bonds6

About 1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene

1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene (PubChem CID 1260860) has the molecular formula C16H13Cl2NO4 and a molecular weight of 354.19 g/mol. Its IUPAC name is 1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene
PubChem CID1260860
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene
SMILESCOc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C16H13Cl2NO4/c1-22-15-9-11(6-7-19(20)21)8-14(18)16(15)23-10-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3/b7-6+
InChIKeyNFPZNAWYRMRAIM-VOTSOKGWSA-N
XLogP4.83
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.83
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

1-chloro-3-methoxy-5-[(E)-2-nitroethenyl]-2-prop-2-ynoxybenzene
CID 2181097
3-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enamide
CID 171137551
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 23972782
(E)-1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6860105
1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene
CID 23774722
1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene
CID 23803810
3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 1276566
5-(bromomethyl)-1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxybenzene
CID 43324504
(E)-3-[3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 91684969
3-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
CID 3525198
(E)-3-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoyl chloride
CID 91685377

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene?
The IUPAC name of 1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene (CID 1260860) is 1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for 1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene?
The canonical SMILES for 1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene is COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene?
The InChIKey is NFPZNAWYRMRAIM-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H13Cl2NO4/c1-22-15-9-11(6-7-19(20)21)8-14(18)16(15)23-10-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3/b7-6+.
What are the key properties of 1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene?
1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene has a molecular weight of 354.19 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 1260860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).