5-(2-methoxyphenyl)pentane-2,3-diol

C12H18O3 — CID 83929090

IUPAC5-(2-methoxyphenyl)pentane-2,3-diol
SMILESCOc1ccccc1CCC(O)C(C)O
InChIInChI=1S/C12H18O3/c1-9(13)11(14)8-7-10-5-3-4-6-12(10)15-2/h3-6,9,11,13-14H,7-8H2,1-2H3
InChIKeyDBVDMQFGVWSAJE-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.37
Rot. Bonds5

About 5-(2-methoxyphenyl)pentane-2,3-diol

5-(2-methoxyphenyl)pentane-2,3-diol (PubChem CID 83929090) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)pentane-2,3-diol.

Molecular Properties

Compound Name5-(2-methoxyphenyl)pentane-2,3-diol
PubChem CID83929090
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name5-(2-methoxyphenyl)pentane-2,3-diol
SMILESCOc1ccccc1CCC(O)C(C)O
InChIInChI=1S/C12H18O3/c1-9(13)11(14)8-7-10-5-3-4-6-12(10)15-2/h3-6,9,11,13-14H,7-8H2,1-2H3
InChIKeyDBVDMQFGVWSAJE-UHFFFAOYSA-N
XLogP1.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-2-[(3R)-3-methylpentyl]benzene
CID 142086575
5-(2-methoxy-6-methylphenyl)pentane-2,3-diol
CID 83923964
4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol
CID 112517754
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
4-(2-methoxyphenyl)-1-phenylbutan-1-ol
CID 64513742
1-(2-methoxyphenyl)-3-methylpentan-2-ol
CID 63018266
1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956
5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
CID 83926893
(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 93476587
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)pentane-2,3-diol?
The IUPAC name of 5-(2-methoxyphenyl)pentane-2,3-diol (CID 83929090) is 5-(2-methoxyphenyl)pentane-2,3-diol.
What is the SMILES notation for 5-(2-methoxyphenyl)pentane-2,3-diol?
The canonical SMILES for 5-(2-methoxyphenyl)pentane-2,3-diol is COc1ccccc1CCC(O)C(C)O.
What is the InChIKey of 5-(2-methoxyphenyl)pentane-2,3-diol?
The InChIKey is DBVDMQFGVWSAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9(13)11(14)8-7-10-5-3-4-6-12(10)15-2/h3-6,9,11,13-14H,7-8H2,1-2H3.
What are the key properties of 5-(2-methoxyphenyl)pentane-2,3-diol?
5-(2-methoxyphenyl)pentane-2,3-diol has a molecular weight of 210.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)pentane-2,3-diol is sourced from PubChem (CID 83929090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).