(R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol

C22H31NO4Si — CID 11761216

IUPAC(R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol
SMILESCC(C)[Si](Oc1ccc([C@H](O)c2ccc([N+](=O)[O-])cc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C22H31NO4Si/c1-15(2)28(16(3)4,17(5)6)27-21-13-9-19(10-14-21)22(24)18-7-11-20(12-8-18)23(25)26/h7-17,22,24H,1-6H3/t22-/m1/s1
InChIKeyDFLULVVRQKGNEH-JOCHJYFZSA-N
MW401.58 g/mol
LogP6.23
Rot. Bonds8

About (R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol

(R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol (PubChem CID 11761216) has the molecular formula C22H31NO4Si and a molecular weight of 401.58 g/mol. Its IUPAC name is (R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol.

Molecular Properties

Compound Name(R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol
PubChem CID11761216
Molecular FormulaC22H31NO4Si
Molecular Weight401.58 g/mol
Exact Mass401.20
IUPAC Name(R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol
SMILESCC(C)[Si](Oc1ccc([C@H](O)c2ccc([N+](=O)[O-])cc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C22H31NO4Si/c1-15(2)28(16(3)4,17(5)6)27-21-13-9-19(10-14-21)22(24)18-7-11-20(12-8-18)23(25)26/h7-17,22,24H,1-6H3/t22-/m1/s1
InChIKeyDFLULVVRQKGNEH-JOCHJYFZSA-N
XLogP6.23
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.58
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(4-nitrophenyl)methanol
CID 12768612
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
(3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol
CID 91678450
tri(propan-2-yl)-(4-propan-2-ylphenoxy)silane
CID 170637474
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
(1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine
CID 78938194
N,N-dimethyl-2-(4-nitrophenoxy)propanamide
CID 43887389
trihydroxy-(4-nitrophenoxy)phosphanium
CID 70832943
1-amino-1-(4-nitrophenyl)propan-2-ol
CID 55268505
(1S)-1-[4-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 78933389
(1R,3S)-1-(4-nitrophenyl)butane-1,3-diol
CID 54753607
1-(1-iodoethyl)-4-nitrobenzene
CID 16663559

Frequently Asked Questions

What is the IUPAC name of (R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol?
The IUPAC name of (R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol (CID 11761216) is (R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol.
What is the SMILES notation for (R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol?
The canonical SMILES for (R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol is CC(C)[Si](Oc1ccc([C@H](O)c2ccc([N+](=O)[O-])cc2)cc1)(C(C)C)C(C)C.
What is the InChIKey of (R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol?
The InChIKey is DFLULVVRQKGNEH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H31NO4Si/c1-15(2)28(16(3)4,17(5)6)27-21-13-9-19(10-14-21)22(24)18-7-11-20(12-8-18)23(25)26/h7-17,22,24H,1-6H3/t22-/m1/s1.
What are the key properties of (R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol?
(R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol has a molecular weight of 401.58 g/mol, XLogP of 6.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol is sourced from PubChem (CID 11761216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).