1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene

C20H16ClNO4 — CID 24750091

IUPAC1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene
SMILESCOc1cc(OCc2ccccc2)ccc1-c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C20H16ClNO4/c1-25-20-12-16(26-13-14-5-3-2-4-6-14)8-9-17(20)18-11-15(21)7-10-19(18)22(23)24/h2-12H,13H2,1H3
InChIKeyKRVPRRYWISBCLL-UHFFFAOYSA-N
MW369.80 g/mol
LogP5.50
Rot. Bonds6

About 1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene

1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene (PubChem CID 24750091) has the molecular formula C20H16ClNO4 and a molecular weight of 369.80 g/mol. Its IUPAC name is 1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene
PubChem CID24750091
Molecular FormulaC20H16ClNO4
Molecular Weight369.80 g/mol
Exact Mass369.08
IUPAC Name1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene
SMILESCOc1cc(OCc2ccccc2)ccc1-c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C20H16ClNO4/c1-25-20-12-16(26-13-14-5-3-2-4-6-14)8-9-17(20)18-11-15(21)7-10-19(18)22(23)24/h2-12H,13H2,1H3
InChIKeyKRVPRRYWISBCLL-UHFFFAOYSA-N
XLogP5.50
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.80
LogP ≤ 55.50
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-(5-chloro-2-nitrophenyl)-4-methoxy-2-phenylmethoxybenzene
CID 24749966
4-chloro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 78976835
2-(chloromethyl)-1-nitro-4-phenylmethoxybenzene
CID 11832719
4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene
CID 134116888
1-[4-chloro-2-(4-nitro-3-phenylmethoxyphenoxy)phenyl]-N-methylmethanamine
CID 69465636
2-chloro-1-nitro-4-(phenylmethoxymethoxy)benzene
CID 104597857
2-(2-nitro-5-phenylmethoxyphenyl)acetyl chloride
CID 87823610
3-(5-chloro-2-methoxyphenyl)-5-[3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-1,2,4-oxadiazole
CID 19332577
1-methoxy-3-nitro-2-(4-phenylmethoxyphenyl)benzene
CID 67026370
4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
CID 1105902
1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
CID 10661416
5-[(4-chlorophenyl)methoxy]-2-nitrobenzoic acid
CID 65125040

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene?
The IUPAC name of 1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene (CID 24750091) is 1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene?
The canonical SMILES for 1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene is COc1cc(OCc2ccccc2)ccc1-c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene?
The InChIKey is KRVPRRYWISBCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO4/c1-25-20-12-16(26-13-14-5-3-2-4-6-14)8-9-17(20)18-11-15(21)7-10-19(18)22(23)24/h2-12H,13H2,1H3.
What are the key properties of 1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene?
1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene has a molecular weight of 369.80 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene is sourced from PubChem (CID 24750091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).