(4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane

C16H15ClO2 — CID 118140933

IUPAC(4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane
SMILESC[C@H]1OC(c2ccccc2)O[C@@H]1c1ccccc1Cl
InChIInChI=1S/C16H15ClO2/c1-11-15(13-9-5-6-10-14(13)17)19-16(18-11)12-7-3-2-4-8-12/h2-11,15-16H,1H3/t11-,15+,16?/m1/s1
InChIKeyYPCFKDDVISSXEV-LKCRCUOOSA-N
MW274.75 g/mol
LogP4.52
Rot. Bonds2

About (4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane

(4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane (PubChem CID 118140933) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is (4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane
PubChem CID118140933
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name(4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane
SMILESC[C@H]1OC(c2ccccc2)O[C@@H]1c1ccccc1Cl
InChIInChI=1S/C16H15ClO2/c1-11-15(13-9-5-6-10-14(13)17)19-16(18-11)12-7-3-2-4-8-12/h2-11,15-16H,1H3/t11-,15+,16?/m1/s1
InChIKeyYPCFKDDVISSXEV-LKCRCUOOSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,4S,5S)-5-(2-chlorophenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 140688315
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(4S,5S)-4-(2-chlorophenyl)-2,2,5-trimethyl-1,3-dioxolane
CID 118141605
(2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane
CID 42603793
2-(3-methyloxiran-2-yl)aniline
CID 163937160
2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane
CID 118140942
[(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 141385272
2-phenyl-4-propan-2-yl-1,3-dioxetane
CID 67555130
(2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol
CID 11128285
5-(2-chlorophenyl)-2,4,4-trimethyl-1,2-oxazolidin-3-one
CID 23176760

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane (CID 118140933) is (4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane is C[C@H]1OC(c2ccccc2)O[C@@H]1c1ccccc1Cl.
What is the InChIKey of (4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane?
The InChIKey is YPCFKDDVISSXEV-LKCRCUOOSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-11-15(13-9-5-6-10-14(13)17)19-16(18-11)12-7-3-2-4-8-12/h2-11,15-16H,1H3/t11-,15+,16?/m1/s1.
What are the key properties of (4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane?
(4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane has a molecular weight of 274.75 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 118140933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).