(3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol

C15H15NO5 — CID 91678450

IUPAC(3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol
SMILESCOc1ccc(C(O)c2ccc([N+](=O)[O-])cc2)cc1OC
InChIInChI=1S/C15H15NO5/c1-20-13-8-5-11(9-14(13)21-2)15(17)10-3-6-12(7-4-10)16(18)19/h3-9,15,17H,1-2H3
InChIKeyLYNKMOKDQCFBNT-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.69
Rot. Bonds5

About (3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol

(3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol (PubChem CID 91678450) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol
PubChem CID91678450
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name(3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol
SMILESCOc1ccc(C(O)c2ccc([N+](=O)[O-])cc2)cc1OC
InChIInChI=1S/C15H15NO5/c1-20-13-8-5-11(9-14(13)21-2)15(17)10-3-6-12(7-4-10)16(18)19/h3-9,15,17H,1-2H3
InChIKeyLYNKMOKDQCFBNT-UHFFFAOYSA-N
XLogP2.69
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.69
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

(3,4-dimethoxyphenyl)-(4-methyl-3-nitrophenyl)methanol
CID 91678407
bis(4-nitrophenyl)methanol
CID 12768612
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-nitrophenyl)thiourea
CID 19675646
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
4-[(4-amino-3-methoxyphenyl)-(4-nitrophenyl)methyl]-2-methoxyaniline
CID 71480758
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]acetamide
CID 47005175
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
1-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-3-(4-nitroanilino)propan-1-ol
CID 132591782
1,3,5-trimethoxy-2-[(4-nitrophenyl)-(2,4,6-trimethoxyphenyl)methyl]benzene
CID 11662781
2-(3,4-dimethoxyphenyl)sulfanyl-1-(4-nitrophenyl)ethanone
CID 91880270
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol (CID 91678450) is (3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol is COc1ccc(C(O)c2ccc([N+](=O)[O-])cc2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol?
The InChIKey is LYNKMOKDQCFBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-20-13-8-5-11(9-14(13)21-2)15(17)10-3-6-12(7-4-10)16(18)19/h3-9,15,17H,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol?
(3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol has a molecular weight of 289.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol is sourced from PubChem (CID 91678450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).