1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol

C15H14ClNO4 — CID 63017859

IUPAC1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol
SMILESCOc1cc(Cl)ccc1C(O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClNO4/c1-21-15-9-11(16)6-7-12(15)14(18)8-10-4-2-3-5-13(10)17(19)20/h2-7,9,14,18H,8H2,1H3
InChIKeySHLXIERVGIWQQL-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.53
Rot. Bonds5

About 1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol

1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol (PubChem CID 63017859) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol
PubChem CID63017859
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol
SMILESCOc1cc(Cl)ccc1C(O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClNO4/c1-21-15-9-11(16)6-7-12(15)14(18)8-10-4-2-3-5-13(10)17(19)20/h2-7,9,14,18H,8H2,1H3
InChIKeySHLXIERVGIWQQL-UHFFFAOYSA-N
XLogP3.53
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.53
H-Bond Donors ≤ 51
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-methylphenyl)-2-(2-nitrophenyl)ethanol
CID 82890343
1-(4-chloro-2-methoxyphenyl)-2-phenylethanol
CID 63017540
1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol
CID 63017856
1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 114978934
1-(5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 55151769
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
1-(4,5-dimethoxy-2-nitrophenyl)-2-phenylethanol
CID 44630810
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)-2-phenylethanol
CID 7172148
1,4-dichloro-2-[1-chloro-2-(2-nitrophenyl)ethyl]benzene
CID 63519709
1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol
CID 63049499
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790756

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol (CID 63017859) is 1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol is COc1cc(Cl)ccc1C(O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol?
The InChIKey is SHLXIERVGIWQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-21-15-9-11(16)6-7-12(15)14(18)8-10-4-2-3-5-13(10)17(19)20/h2-7,9,14,18H,8H2,1H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol?
1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol has a molecular weight of 307.73 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol is sourced from PubChem (CID 63017859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).