(4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol

C15H24O4 — CID 163035504

IUPAC(4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol
SMILESCC(C)(COCc1ccccc1)[C@H](O)CC(O)CO
InChIInChI=1S/C15H24O4/c1-15(2,14(18)8-13(17)9-16)11-19-10-12-6-4-3-5-7-12/h3-7,13-14,16-18H,8-11H2,1-2H3/t13?,14-/m1/s1
InChIKeyGOFUDGXBPMHIQQ-ARLHGKGLSA-N
MW268.35 g/mol
LogP1.33
Rot. Bonds8

About (4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol

(4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol (PubChem CID 163035504) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol.

Molecular Properties

Compound Name(4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol
PubChem CID163035504
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol
SMILESCC(C)(COCc1ccccc1)[C@H](O)CC(O)CO
InChIInChI=1S/C15H24O4/c1-15(2,14(18)8-13(17)9-16)11-19-10-12-6-4-3-5-7-12/h3-7,13-14,16-18H,8-11H2,1-2H3/t13?,14-/m1/s1
InChIKeyGOFUDGXBPMHIQQ-ARLHGKGLSA-N
XLogP1.33
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol
CID 53362755
CID 172760983
CID 172760983
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol
CID 121002722
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
2-(3,4-dihydroxy-2-methyl-1-phenylmethoxybutan-2-yl)butanedioic acid
CID 21255641
3-(2-phenylmethoxyethylsulfanyl)propane-1,2-diol
CID 130537045
3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol?
The IUPAC name of (4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol (CID 163035504) is (4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol.
What is the SMILES notation for (4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol?
The canonical SMILES for (4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol is CC(C)(COCc1ccccc1)[C@H](O)CC(O)CO.
What is the InChIKey of (4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol?
The InChIKey is GOFUDGXBPMHIQQ-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H24O4/c1-15(2,14(18)8-13(17)9-16)11-19-10-12-6-4-3-5-7-12/h3-7,13-14,16-18H,8-11H2,1-2H3/t13?,14-/m1/s1.
What are the key properties of (4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol?
(4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol has a molecular weight of 268.35 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol is sourced from PubChem (CID 163035504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).