(2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol

C14H18Cl2O3 — CID 139258977

IUPAC(2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol
SMILESC[C@@H]1[C@H](O)[C@@H](C)[C@@](C)(O)O[C@@H]1c1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2O3/c1-7-12(17)8(2)14(3,18)19-13(7)11-9(15)5-4-6-10(11)16/h4-8,12-13,17-18H,1-3H3/t7-,8-,12+,13+,14+/m1/s1
InChIKeyGUVQFLLBANFXJP-VJWDYSCTSA-N
MW305.20 g/mol
LogP3.41
Rot. Bonds1

About (2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol

(2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol (PubChem CID 139258977) has the molecular formula C14H18Cl2O3 and a molecular weight of 305.20 g/mol. Its IUPAC name is (2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol
PubChem CID139258977
Molecular FormulaC14H18Cl2O3
Molecular Weight305.20 g/mol
Exact Mass304.06
IUPAC Name(2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol
SMILESC[C@@H]1[C@H](O)[C@@H](C)[C@@](C)(O)O[C@@H]1c1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2O3/c1-7-12(17)8(2)14(3,18)19-13(7)11-9(15)5-4-6-10(11)16/h4-8,12-13,17-18H,1-3H3/t7-,8-,12+,13+,14+/m1/s1
InChIKeyGUVQFLLBANFXJP-VJWDYSCTSA-N
XLogP3.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol with MolForge

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Related Compounds

4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane
CID 144861861
(5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one
CID 71182300
(1S,9R,10R)-10-(2,6-dichlorophenyl)-1-methoxy-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 13190793
[5-(2,6-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]-methylsulfamic acid
CID 129068497
2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane
CID 151349350
5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane
CID 156843570
S-[[5-(2,6-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]thiohydroxylamine
CID 129085034
3-chloro-2-(2-methylcyclopropyl)phenol
CID 89070778
methyl (4R,5S)-5-(2,6-dichlorophenyl)-2-methyl-1,3-dioxolane-4-carboxylate
CID 175903126
3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
CID 65174607
(4S,5R)-5-(2,6-dichlorophenyl)-2,2,4-triethyl-1,3-dioxolane-4-carboxylic acid
CID 122638322
2-(2,6-dichlorophenyl)-3,3-dimethylazetidine
CID 130574989

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol?
The IUPAC name of (2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol (CID 139258977) is (2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol.
What is the SMILES notation for (2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol?
The canonical SMILES for (2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol is C[C@@H]1[C@H](O)[C@@H](C)[C@@](C)(O)O[C@@H]1c1c(Cl)cccc1Cl.
What is the InChIKey of (2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol?
The InChIKey is GUVQFLLBANFXJP-VJWDYSCTSA-N. The full InChI is InChI=1S/C14H18Cl2O3/c1-7-12(17)8(2)14(3,18)19-13(7)11-9(15)5-4-6-10(11)16/h4-8,12-13,17-18H,1-3H3/t7-,8-,12+,13+,14+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol?
(2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol has a molecular weight of 305.20 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol is sourced from PubChem (CID 139258977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).