[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol

C15H15NO5 — CID 110005212

IUPAC[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol
SMILESCOc1ccc(OCc2ccc(CO)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15NO5/c1-20-13-6-7-15(14(8-13)16(18)19)21-10-12-4-2-11(9-17)3-5-12/h2-8,17H,9-10H2,1H3
InChIKeyRJPSYUJWHNHZMC-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.67
Rot. Bonds6

About [4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol

[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol (PubChem CID 110005212) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is [4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol
PubChem CID110005212
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol
SMILESCOc1ccc(OCc2ccc(CO)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15NO5/c1-20-13-6-7-15(14(8-13)16(18)19)21-10-12-4-2-11(9-17)3-5-12/h2-8,17H,9-10H2,1H3
InChIKeyRJPSYUJWHNHZMC-UHFFFAOYSA-N
XLogP2.67
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.67
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

[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
CID 28963761
CID 154661760
CID 154661760
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-nitrobenzonitrile
CID 115969402
[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
CID 28964238
[4-[(3,5-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 105404109
[4-[(3-methoxy-5-nitrophenyl)methoxy]phenyl]methanol
CID 81152309
4-chloro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 78976835
4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 112722723
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 82917501
(4-methoxyphenyl)methanol;nitric acid
CID 71402449
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972
1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
CID 10661416

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol?
The IUPAC name of [4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol (CID 110005212) is [4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol?
The canonical SMILES for [4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol is COc1ccc(OCc2ccc(CO)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of [4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol?
The InChIKey is RJPSYUJWHNHZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-20-13-6-7-15(14(8-13)16(18)19)21-10-12-4-2-11(9-17)3-5-12/h2-8,17H,9-10H2,1H3.
What are the key properties of [4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol?
[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol has a molecular weight of 289.29 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol is sourced from PubChem (CID 110005212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).