4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol

C17H15NO4 — CID 67088033

IUPAC4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol
SMILESCC1=C(Cc2ccc([N+](=O)[O-])cc2)COc2cc(O)ccc21
InChIInChI=1S/C17H15NO4/c1-11-13(8-12-2-4-14(5-3-12)18(20)21)10-22-17-9-15(19)6-7-16(11)17/h2-7,9,19H,8,10H2,1H3
InChIKeyAZVDYRBCGASFKW-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.71
Rot. Bonds3

About 4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol

4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol (PubChem CID 67088033) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol.

Molecular Properties

Compound Name4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol
PubChem CID67088033
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol
SMILESCC1=C(Cc2ccc([N+](=O)[O-])cc2)COc2cc(O)ccc21
InChIInChI=1S/C17H15NO4/c1-11-13(8-12-2-4-14(5-3-12)18(20)21)10-22-17-9-15(19)6-7-16(11)17/h2-7,9,19H,8,10H2,1H3
InChIKeyAZVDYRBCGASFKW-UHFFFAOYSA-N
XLogP3.71
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.71
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

3-methyl-4-(4-nitrophenyl)phenol
CID 118072447
ethane;2,2,3-trimethyl-4-(4-nitrophenyl)chromen-7-ol
CID 170611073
[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
4-nitrophenol
CID 88714583
4-methylphenol;4-nitrophenol
CID 68529378
4-nitrophenol;phosphane
CID 157153413
[3-(4-nitrophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methanol
CID 176902597
4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol
CID 57008616
4-nitrophenol;propan-2-one
CID 18924338
4-[(4-nitrophenyl)methoxy]benzene-1,3-diol
CID 139941851
calcium;hydride;4-nitrophenol
CID 173414286
6-hydroxy-2-(4-nitrophenyl)-2,3-dihydrochromen-4-one
CID 158863463

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol?
The IUPAC name of 4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol (CID 67088033) is 4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol.
What is the SMILES notation for 4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol?
The canonical SMILES for 4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol is CC1=C(Cc2ccc([N+](=O)[O-])cc2)COc2cc(O)ccc21.
What is the InChIKey of 4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol?
The InChIKey is AZVDYRBCGASFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11-13(8-12-2-4-14(5-3-12)18(20)21)10-22-17-9-15(19)6-7-16(11)17/h2-7,9,19H,8,10H2,1H3.
What are the key properties of 4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol?
4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol has a molecular weight of 297.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-nitrophenyl)methyl]-2H-chromen-7-ol is sourced from PubChem (CID 67088033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).