2-(2-methoxy-5-methylphenyl)octane-4,5-diol

C16H26O3 — CID 83933104

IUPAC2-(2-methoxy-5-methylphenyl)octane-4,5-diol
SMILESCCCC(O)C(O)CC(C)c1cc(C)ccc1OC
InChIInChI=1S/C16H26O3/c1-5-6-14(17)15(18)10-12(3)13-9-11(2)7-8-16(13)19-4/h7-9,12,14-15,17-18H,5-6,10H2,1-4H3
InChIKeyZPGWNKSVICCZJY-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.02
Rot. Bonds7

About 2-(2-methoxy-5-methylphenyl)octane-4,5-diol

2-(2-methoxy-5-methylphenyl)octane-4,5-diol (PubChem CID 83933104) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)octane-4,5-diol.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)octane-4,5-diol
PubChem CID83933104
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-(2-methoxy-5-methylphenyl)octane-4,5-diol
SMILESCCCC(O)C(O)CC(C)c1cc(C)ccc1OC
InChIInChI=1S/C16H26O3/c1-5-6-14(17)15(18)10-12(3)13-9-11(2)7-8-16(13)19-4/h7-9,12,14-15,17-18H,5-6,10H2,1-4H3
InChIKeyZPGWNKSVICCZJY-UHFFFAOYSA-N
XLogP3.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 81462431
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene
CID 13450101
2-(4-methylphenyl)octane-4,5-diol
CID 83930905
2-(3-tert-butyl-4-methoxyphenyl)octane-4,5-diol
CID 83936816
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114201838
3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine
CID 143259929

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)octane-4,5-diol?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)octane-4,5-diol (CID 83933104) is 2-(2-methoxy-5-methylphenyl)octane-4,5-diol.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)octane-4,5-diol?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)octane-4,5-diol is CCCC(O)C(O)CC(C)c1cc(C)ccc1OC.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)octane-4,5-diol?
The InChIKey is ZPGWNKSVICCZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-5-6-14(17)15(18)10-12(3)13-9-11(2)7-8-16(13)19-4/h7-9,12,14-15,17-18H,5-6,10H2,1-4H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)octane-4,5-diol?
2-(2-methoxy-5-methylphenyl)octane-4,5-diol has a molecular weight of 266.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)octane-4,5-diol is sourced from PubChem (CID 83933104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).