[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol

C15H15NO5 — CID 28963761

IUPAC[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
SMILESCOc1cccc(COc2ccc(CO)cc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15NO5/c1-20-13-4-2-3-12(7-13)10-21-15-6-5-11(9-17)8-14(15)16(18)19/h2-8,17H,9-10H2,1H3
InChIKeyRGXSCBBWXKWRJK-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.67
Rot. Bonds6

About [4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol

[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol (PubChem CID 28963761) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is [4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
PubChem CID28963761
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
SMILESCOc1cccc(COc2ccc(CO)cc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15NO5/c1-20-13-4-2-3-12(7-13)10-21-15-6-5-11(9-17)8-14(15)16(18)19/h2-8,17H,9-10H2,1H3
InChIKeyRGXSCBBWXKWRJK-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-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol
CID 110005212
[3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine
CID 62116037
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 82917501
2-bromo-1-[(3-methoxyphenyl)methoxy]-4-nitrobenzene
CID 23657937
[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 114930513
[5-methoxy-2-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 43267995
[4-[(3,5-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 105404109
(3-methoxyphenyl)(113C)methanol
CID 11593446
[4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 102881576
[3-nitro-4-(2-phenylethoxy)phenyl]methanol
CID 29003909
CID 154661760
CID 154661760
[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol
CID 43137760

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol?
The IUPAC name of [4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol (CID 28963761) is [4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol.
What is the SMILES notation for [4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol?
The canonical SMILES for [4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol is COc1cccc(COc2ccc(CO)cc2[N+](=O)[O-])c1.
What is the InChIKey of [4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol?
The InChIKey is RGXSCBBWXKWRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-20-13-4-2-3-12(7-13)10-21-15-6-5-11(9-17)8-14(15)16(18)19/h2-8,17H,9-10H2,1H3.
What are the key properties of [4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol?
[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]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-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol is sourced from PubChem (CID 28963761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).