4-cyclopropyl-2-methyl-6-nitrophenol

C10H11NO3 — CID 12892535

IUPAC4-cyclopropyl-2-methyl-6-nitrophenol
SMILESCc1cc(C2CC2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C10H11NO3/c1-6-4-8(7-2-3-7)5-9(10(6)12)11(13)14/h4-5,7,12H,2-3H2,1H3
InChIKeyMMLUGIKQVDSZPE-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.49
Rot. Bonds2

About 4-cyclopropyl-2-methyl-6-nitrophenol

4-cyclopropyl-2-methyl-6-nitrophenol (PubChem CID 12892535) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-6-nitrophenol.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-6-nitrophenol
PubChem CID12892535
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-cyclopropyl-2-methyl-6-nitrophenol
SMILESCc1cc(C2CC2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C10H11NO3/c1-6-4-8(7-2-3-7)5-9(10(6)12)11(13)14/h4-5,7,12H,2-3H2,1H3
InChIKeyMMLUGIKQVDSZPE-UHFFFAOYSA-N
XLogP2.49
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
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

4-(azetidin-3-yl)-2-methyl-6-nitrophenol
CID 171408476
4-cyclopropyl-2-nitrophenol
CID 12608020
1,2-dimethyl-4-[4-(3-methyl-4-nitrophenyl)cyclohexyl]benzene
CID 122632001
4-(4-hydroxy-3-methyl-5-nitrophenoxy)-2-methyl-6-nitrophenol
CID 57107290
sodium;hydride;2-methyl-4,6-dinitrophenol
CID 173366474
2-methyl-4,6-dinitrophenol;2-methyl-1,3,5-trinitrobenzene
CID 87639053
ethane-1,2-diol;2-methyl-4,6-dinitrophenol
CID 87637947
4-(methoxymethyl)-2-methyl-6-nitrophenol
CID 131500221
2,6-dihydroxy-3-methyl-5-nitrobenzoic acid
CID 139932552
tert-butyl 4-(4-hydroxy-3-iodo-5-nitrophenyl)piperidine-1-carboxylate
CID 171408597
5-[(2R)-azetidin-2-yl]-3-nitrobenzene-1,2-diol
CID 131543750
4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline
CID 67363236

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-6-nitrophenol?
The IUPAC name of 4-cyclopropyl-2-methyl-6-nitrophenol (CID 12892535) is 4-cyclopropyl-2-methyl-6-nitrophenol.
What is the SMILES notation for 4-cyclopropyl-2-methyl-6-nitrophenol?
The canonical SMILES for 4-cyclopropyl-2-methyl-6-nitrophenol is Cc1cc(C2CC2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 4-cyclopropyl-2-methyl-6-nitrophenol?
The InChIKey is MMLUGIKQVDSZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-4-8(7-2-3-7)5-9(10(6)12)11(13)14/h4-5,7,12H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-2-methyl-6-nitrophenol?
4-cyclopropyl-2-methyl-6-nitrophenol has a molecular weight of 193.20 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-6-nitrophenol is sourced from PubChem (CID 12892535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).