6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol

C15H24O5 — CID 73319702

IUPAC6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol
SMILESCOC(CC(O)CC(O)COCc1ccccc1)OC
InChIInChI=1S/C15H24O5/c1-18-15(19-2)9-13(16)8-14(17)11-20-10-12-6-4-3-5-7-12/h3-7,13-17H,8-11H2,1-2H3
InChIKeyJKQSWJHBQZFSJX-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.32
Rot. Bonds10

About 6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol

6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol (PubChem CID 73319702) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol.

Molecular Properties

Compound Name6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol
PubChem CID73319702
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol
SMILESCOC(CC(O)CC(O)COCc1ccccc1)OC
InChIInChI=1S/C15H24O5/c1-18-15(19-2)9-13(16)8-14(17)11-20-10-12-6-4-3-5-7-12/h3-7,13-17H,8-11H2,1-2H3
InChIKeyJKQSWJHBQZFSJX-UHFFFAOYSA-N
XLogP1.32
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol
CID 10958304
(3S,5R,6R)-1,1-dimethoxy-6-phenylmethoxyheptane-3,5-diol
CID 24747717
(3R,5S,6R)-1,1-dimethoxy-6-phenylmethoxyheptane-3,5-diol
CID 24747722
ethyl (3R,5R)-3,5-dihydroxy-6-phenylmethoxyhexanoate
CID 102254897
CID 172760983
CID 172760983
2-methylpropyl (3R,5S)-3,5-dihydroxy-6-phenylmethoxyhexanoate
CID 142188998
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2-tert-butyl-4-hydroxy-5-phenylmethoxypentanoic acid
CID 83139665
6-hydroxy-4-methyl-7-phenylmethoxyheptan-3-one
CID 79417620
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 171766048

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol?
The IUPAC name of 6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol (CID 73319702) is 6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol.
What is the SMILES notation for 6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol?
The canonical SMILES for 6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol is COC(CC(O)CC(O)COCc1ccccc1)OC.
What is the InChIKey of 6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol?
The InChIKey is JKQSWJHBQZFSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-18-15(19-2)9-13(16)8-14(17)11-20-10-12-6-4-3-5-7-12/h3-7,13-17H,8-11H2,1-2H3.
What are the key properties of 6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol?
6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol has a molecular weight of 284.35 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol is sourced from PubChem (CID 73319702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).