(2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol

C24H31ClO6 — CID 130305846

IUPAC(2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol
SMILESOC[C@H](O)C[C@H](O)CC(O)c1ccc(Cl)c(Cc2ccc(OCCOC3CC3)cc2)c1
InChIInChI=1S/C24H31ClO6/c25-23-8-3-17(24(29)14-19(27)13-20(28)15-26)12-18(23)11-16-1-4-21(5-2-16)30-9-10-31-22-6-7-22/h1-5,8,12,19-20,22,24,26-29H,6-7,9-11,13-15H2/t19-,20+,24?/m0/s1
InChIKeyJRQOMFCLBVTCJL-ZPVKFHTISA-N
MW450.96 g/mol
LogP3.02
Rot. Bonds13

About (2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol

(2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol (PubChem CID 130305846) has the molecular formula C24H31ClO6 and a molecular weight of 450.96 g/mol. Its IUPAC name is (2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol.

Molecular Properties

Compound Name(2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol
PubChem CID130305846
Molecular FormulaC24H31ClO6
Molecular Weight450.96 g/mol
Exact Mass450.18
IUPAC Name(2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol
SMILESOC[C@H](O)C[C@H](O)CC(O)c1ccc(Cl)c(Cc2ccc(OCCOC3CC3)cc2)c1
InChIInChI=1S/C24H31ClO6/c25-23-8-3-17(24(29)14-19(27)13-20(28)15-26)12-18(23)11-16-1-4-21(5-2-16)30-9-10-31-22-6-7-22/h1-5,8,12,19-20,22,24,26-29H,6-7,9-11,13-15H2/t19-,20+,24?/m0/s1
InChIKeyJRQOMFCLBVTCJL-ZPVKFHTISA-N
XLogP3.02
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.96
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol with MolForge

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Related Compounds

4-bromo-1-chloro-2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]benzene
CID 59557755
(2S,5S)-2-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 144780112
(3S)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol
CID 134485158
(3R,4S,5S,6R)-2-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 122415252
1-[4-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]ethane-1,2-diol
CID 143847487
[6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]oxan-2-yl]methanamine
CID 176944268
2-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-6-(difluoromethoxy)oxan-4-ol;methanol
CID 144747158
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(2-cyclohexyloxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 56683501
[2,6-diacetyloxy-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-4,5-bis(phenylmethoxy)hexyl] acetate
CID 123425570
[6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-4-phenylmethoxyoxan-2-yl]methanol
CID 77386917
[(1S,2S,3S,4R,5R)-5-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-1-yl]methanol
CID 121281841
2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene
CID 123373823

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol?
The IUPAC name of (2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol (CID 130305846) is (2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol.
What is the SMILES notation for (2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol?
The canonical SMILES for (2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol is OC[C@H](O)C[C@H](O)CC(O)c1ccc(Cl)c(Cc2ccc(OCCOC3CC3)cc2)c1.
What is the InChIKey of (2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol?
The InChIKey is JRQOMFCLBVTCJL-ZPVKFHTISA-N. The full InChI is InChI=1S/C24H31ClO6/c25-23-8-3-17(24(29)14-19(27)13-20(28)15-26)12-18(23)11-16-1-4-21(5-2-16)30-9-10-31-22-6-7-22/h1-5,8,12,19-20,22,24,26-29H,6-7,9-11,13-15H2/t19-,20+,24?/m0/s1.
What are the key properties of (2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol?
(2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol has a molecular weight of 450.96 g/mol, XLogP of 3.02, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol is sourced from PubChem (CID 130305846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).