(4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane

C16H15NO4 — CID 11565449

IUPAC(4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane
SMILESO=[N+]([O-])c1ccc(C(c2ccccc2)[C@@H]2COCO2)cc1
InChIInChI=1S/C16H15NO4/c18-17(19)14-8-6-13(7-9-14)16(15-10-20-11-21-15)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16?/m0/s1
InChIKeyMUCHSLIUUWLVRL-VYRBHSGPSA-N
MW285.30 g/mol
LogP3.10
Rot. Bonds4

About (4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane

(4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane (PubChem CID 11565449) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane
PubChem CID11565449
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane
SMILESO=[N+]([O-])c1ccc(C(c2ccccc2)[C@@H]2COCO2)cc1
InChIInChI=1S/C16H15NO4/c18-17(19)14-8-6-13(7-9-14)16(15-10-20-11-21-15)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16?/m0/s1
InChIKeyMUCHSLIUUWLVRL-VYRBHSGPSA-N
XLogP3.10
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
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

1-nitro-4-(1-phenylethyl)benzene
CID 11790935
(4R,5S)-4-(4-nitrophenyl)-1,3-dioxan-5-ol
CID 670521
(4-nitrophenyl)-phenylmethanamine
CID 19975165
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
CID 43297246
1-[benzhydrylsulfanyl(phenyl)methyl]-4-nitrobenzene
CID 172821851
1-ethyl-4-nitrobenzene;1-phenylethylbenzene
CID 145486394
2-cyclopentyl-2-(4-nitrophenyl)acetic acid
CID 67078544
(2R,4S)-4-[(4-nitrophenyl)methyl]-2-[(1S)-1-phenylethoxy]oxolane
CID 124828312
(2S,4R)-4-[(4-nitrophenyl)methyl]-2-[(1S)-1-phenylethoxy]oxolane
CID 124828310
2,2-dichloro-N-[(4R,5R)-4-(4-nitrophenyl)-1,3-dioxan-5-yl]acetamide
CID 10616760
1-[1-(benzenesulfonyl)ethyl]-4-nitrobenzene
CID 4570430

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane?
The IUPAC name of (4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane (CID 11565449) is (4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane is O=[N+]([O-])c1ccc(C(c2ccccc2)[C@@H]2COCO2)cc1.
What is the InChIKey of (4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane?
The InChIKey is MUCHSLIUUWLVRL-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H15NO4/c18-17(19)14-8-6-13(7-9-14)16(15-10-20-11-21-15)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16?/m0/s1.
What are the key properties of (4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane?
(4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane has a molecular weight of 285.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(R)-(4-nitrophenyl)-phenylmethyl]-1,3-dioxolane is sourced from PubChem (CID 11565449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).