(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol

C10H13NO5 — CID 916122

IUPAC(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
SMILESCOc1cc([C@@H](C)O)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H13NO5/c1-6(12)7-4-9(15-2)10(16-3)5-8(7)11(13)14/h4-6,12H,1-3H3/t6-/m1/s1
InChIKeyKMRZADDYRLREOY-ZCFIWIBFSA-N
MW227.22 g/mol
LogP1.67
Rot. Bonds4

About (1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol

(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol (PubChem CID 916122) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is (1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
PubChem CID916122
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
SMILESCOc1cc([C@@H](C)O)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H13NO5/c1-6(12)7-4-9(15-2)10(16-3)5-8(7)11(13)14/h4-6,12H,1-3H3/t6-/m1/s1
InChIKeyKMRZADDYRLREOY-ZCFIWIBFSA-N
XLogP1.67
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(1S)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916121
3-(4,5-dimethoxy-2-nitrophenyl)butan-2-ol
CID 83008421
4-[4-(1-hydroxyethyl)-2-methoxy-5-nitrophenoxy]butanamide
CID 143819492
2-(4,5-dimethoxy-2-nitrophenyl)-2-hydroxyacetonitrile
CID 171371576
1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine
CID 143593271
3-(4,5-dimethoxy-2-nitrophenyl)butan-2-amine
CID 83007806
(4,5-dimethoxy-2-nitrophenyl)-(4-methoxyphenyl)methanol
CID 4598455
2-amino-2-(4,5-dimethoxy-2-nitrophenyl)acetic acid
CID 53419103
4-(1-hydroxyethyl)-5-nitrobenzene-1,2-diol
CID 121371654
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)-2-methylbutan-1-amine
CID 171213477
1-(4,5-dimethoxy-2-nitrophenyl)-2-phenylethanol
CID 44630810
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)-2-phenylethanol
CID 7172148

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol?
The IUPAC name of (1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol (CID 916122) is (1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol.
What is the SMILES notation for (1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol?
The canonical SMILES for (1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol is COc1cc([C@@H](C)O)c([N+](=O)[O-])cc1OC.
What is the InChIKey of (1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol?
The InChIKey is KMRZADDYRLREOY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13NO5/c1-6(12)7-4-9(15-2)10(16-3)5-8(7)11(13)14/h4-6,12H,1-3H3/t6-/m1/s1.
What are the key properties of (1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol?
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol has a molecular weight of 227.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol is sourced from PubChem (CID 916122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).