(R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol

C15H15NO4 — CID 100803960

IUPAC(R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol
SMILESCCOc1ccc([C@@H](O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H15NO4/c1-2-20-14-8-6-11(7-9-14)15(17)12-4-3-5-13(10-12)16(18)19/h3-10,15,17H,2H2,1H3/t15-/m1/s1
InChIKeyCCLOHXBDBIOFFO-OAHLLOKOSA-N
MW273.29 g/mol
LogP3.08
Rot. Bonds5

About (R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol

(R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol (PubChem CID 100803960) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol.

Molecular Properties

Compound Name(R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol
PubChem CID100803960
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol
SMILESCCOc1ccc([C@@H](O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H15NO4/c1-2-20-14-8-6-11(7-9-14)15(17)12-4-3-5-13(10-12)16(18)19/h3-10,15,17H,2H2,1H3/t15-/m1/s1
InChIKeyCCLOHXBDBIOFFO-OAHLLOKOSA-N
XLogP3.08
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.08
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

(4-ethoxyphenyl)-(3-nitrophenyl)methanamine
CID 70193824
(S)-(3-nitrophenyl)-phenylmethanol
CID 15984760
(3-bromophenyl)-(4-ethoxyphenyl)methanol
CID 46205463
(R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol
CID 100803950
3-(4-ethoxyphenyl)-1-methyl-1-[(1S)-1-(3-nitrophenyl)ethyl]thiourea
CID 8560882
[(1R)-1-(3-nitrophenyl)ethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 9060375
1-[1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 2957728
1-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 971988
[1-(1-ethoxyethyl)pyrazol-4-yl]-(3-nitrophenyl)methanol
CID 118355837
1-(3-nitrophenyl)ethyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 18273363
(3-nitrophenyl) 4-ethoxybenzenesulfonate
CID 51169952
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-nitrobenzoate
CID 7476756

Frequently Asked Questions

What is the IUPAC name of (R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol?
The IUPAC name of (R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol (CID 100803960) is (R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol.
What is the SMILES notation for (R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol?
The canonical SMILES for (R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol is CCOc1ccc([C@@H](O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of (R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol?
The InChIKey is CCLOHXBDBIOFFO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-20-14-8-6-11(7-9-14)15(17)12-4-3-5-13(10-12)16(18)19/h3-10,15,17H,2H2,1H3/t15-/m1/s1.
What are the key properties of (R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol?
(R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol has a molecular weight of 273.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol is sourced from PubChem (CID 100803960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).