1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene

C14H12ClNO3 — CID 43350358

IUPAC1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene
SMILESO=[N+]([O-])c1cc(COCc2ccccc2)ccc1Cl
InChIInChI=1S/C14H12ClNO3/c15-13-7-6-12(8-14(13)16(17)18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyISKDTDRCTUULRQ-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.96
Rot. Bonds5

About 1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene

1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene (PubChem CID 43350358) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene
PubChem CID43350358
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene
SMILESO=[N+]([O-])c1cc(COCc2ccccc2)ccc1Cl
InChIInChI=1S/C14H12ClNO3/c15-13-7-6-12(8-14(13)16(17)18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyISKDTDRCTUULRQ-UHFFFAOYSA-N
XLogP3.96
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.96
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

1-chloro-4-(methylperoxymethyl)-2-nitrobenzene
CID 89234318
1-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-nitrobenzene
CID 112587524
1,2,4-trichloro-5-[(4-chloro-3-nitrophenyl)methoxy]benzene
CID 43350426
2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 43350369
1-chloro-4-[(3-ethylphenoxy)methyl]-2-nitrobenzene
CID 43350457
2-chloro-1-nitro-4-(phenylmethoxymethoxy)benzene
CID 104597857
4-[(4-chloro-3-nitrophenyl)methoxy]benzonitrile
CID 43350403
1-chloro-4-[(2,4-dibromophenoxy)methyl]-2-nitrobenzene
CID 64719307
2-[(3-chlorophenyl)methoxymethyl]-6-nitroaniline
CID 107352414
1-bromo-2-nitro-4-(3-phenylpropoxymethyl)benzene
CID 115558046
[3-nitro-4-(phenylmethoxymethoxy)phenyl]methanamine
CID 102939411
1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene
CID 107348744

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene?
The IUPAC name of 1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene (CID 43350358) is 1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene.
What is the SMILES notation for 1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene?
The canonical SMILES for 1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene is O=[N+]([O-])c1cc(COCc2ccccc2)ccc1Cl.
What is the InChIKey of 1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene?
The InChIKey is ISKDTDRCTUULRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c15-13-7-6-12(8-14(13)16(17)18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene?
1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene has a molecular weight of 277.71 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene is sourced from PubChem (CID 43350358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).