(2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol

C15H20Cl2O3 — CID 57054505

IUPAC(2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol
SMILESC[C@H](CO)C[C@@]1(c2ccc(Cl)cc2Cl)COC(C)(C)O1
InChIInChI=1S/C15H20Cl2O3/c1-10(8-18)7-15(9-19-14(2,3)20-15)12-5-4-11(16)6-13(12)17/h4-6,10,18H,7-9H2,1-3H3/t10-,15-/m0/s1
InChIKeyWTLDGYXIBAZNED-BONVTDFDSA-N
MW319.23 g/mol
LogP3.99
Rot. Bonds4

About (2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol

(2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol (PubChem CID 57054505) has the molecular formula C15H20Cl2O3 and a molecular weight of 319.23 g/mol. Its IUPAC name is (2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol
PubChem CID57054505
Molecular FormulaC15H20Cl2O3
Molecular Weight319.23 g/mol
Exact Mass318.08
IUPAC Name(2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol
SMILESC[C@H](CO)C[C@@]1(c2ccc(Cl)cc2Cl)COC(C)(C)O1
InChIInChI=1S/C15H20Cl2O3/c1-10(8-18)7-15(9-19-14(2,3)20-15)12-5-4-11(16)6-13(12)17/h4-6,10,18H,7-9H2,1-3H3/t10-,15-/m0/s1
InChIKeyWTLDGYXIBAZNED-BONVTDFDSA-N
XLogP3.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol with MolForge

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Related Compounds

(2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane
CID 173217584
2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane
CID 86098371
4-(chloromethyl)-4-(2,4-difluorophenyl)-2,2-dimethyl-1,3-dioxolane
CID 22464438
1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole
CID 2783908
[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872520
4-[(2-bromo-1,1,2,2-tetrafluoroethoxy)methyl]-4-[2-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethyl-1,3-dioxolane
CID 151612677
3-(2,4-dichlorophenyl)oxetan-3-ol
CID 83690306
2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane
CID 143933612
2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane
CID 164706205
2-butyl-2-(2,4-dichlorophenyl)oxirane;hydron;trimethylsulfanium;sulfate
CID 173345453
2-(2,4-dichlorophenyl)-2-(trifluoromethyl)oxirane
CID 86097385
3-[2-(aminomethyl)-4-chlorophenyl]sulfanyl-2-methylpropan-1-ol
CID 114864970

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol?
The IUPAC name of (2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol (CID 57054505) is (2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol.
What is the SMILES notation for (2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol?
The canonical SMILES for (2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol is C[C@H](CO)C[C@@]1(c2ccc(Cl)cc2Cl)COC(C)(C)O1.
What is the InChIKey of (2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol?
The InChIKey is WTLDGYXIBAZNED-BONVTDFDSA-N. The full InChI is InChI=1S/C15H20Cl2O3/c1-10(8-18)7-15(9-19-14(2,3)20-15)12-5-4-11(16)6-13(12)17/h4-6,10,18H,7-9H2,1-3H3/t10-,15-/m0/s1.
What are the key properties of (2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol?
(2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol has a molecular weight of 319.23 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 57054505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).