(1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol

C15H14ClNO4 — CID 104890071

IUPAC(1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol
SMILESC[C@@H](O)c1cc([N+](=O)[O-])ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO4/c1-10(18)14-8-13(17(19)20)5-6-15(14)21-9-11-3-2-4-12(16)7-11/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyZNPJCDHOAXCUTR-SNVBAGLBSA-N
MW307.73 g/mol
LogP3.88
Rot. Bonds5

About (1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol

(1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol (PubChem CID 104890071) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is (1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol
PubChem CID104890071
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name(1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol
SMILESC[C@@H](O)c1cc([N+](=O)[O-])ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO4/c1-10(18)14-8-13(17(19)20)5-6-15(14)21-9-11-3-2-4-12(16)7-11/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyZNPJCDHOAXCUTR-SNVBAGLBSA-N
XLogP3.88
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 ≤ 53.88
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

(1R)-1-[5-chloro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 63364333
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 43503886
[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472956
1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848
1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine
CID 60889197
(1S)-1-[2-[(5-chlorothiophen-2-yl)methoxy]-5-nitrophenyl]ethanol
CID 104890274
(1R)-1-[2-[(6-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol
CID 104890158
(1R)-1-[5-nitro-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 104890213
1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 55031626
(1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 78934193
1-(4-chlorophenyl)-2-[2-(1-hydroxyethyl)-4-nitrophenoxy]ethanone
CID 15508514

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol (CID 104890071) is (1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol is C[C@@H](O)c1cc([N+](=O)[O-])ccc1OCc1cccc(Cl)c1.
What is the InChIKey of (1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol?
The InChIKey is ZNPJCDHOAXCUTR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-10(18)14-8-13(17(19)20)5-6-15(14)21-9-11-3-2-4-12(16)7-11/h2-8,10,18H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol?
(1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol has a molecular weight of 307.73 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol is sourced from PubChem (CID 104890071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).