3-(2-methoxyphenyl)pentane-1,5-diol

C12H18O3 — CID 51050570

IUPAC3-(2-methoxyphenyl)pentane-1,5-diol
SMILESCOc1ccccc1C(CCO)CCO
InChIInChI=1S/C12H18O3/c1-15-12-5-3-2-4-11(12)10(6-8-13)7-9-14/h2-5,10,13-14H,6-9H2,1H3
InChIKeyIBRYIOVCJDTERH-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.54
Rot. Bonds6

About 3-(2-methoxyphenyl)pentane-1,5-diol

3-(2-methoxyphenyl)pentane-1,5-diol (PubChem CID 51050570) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-(2-methoxyphenyl)pentane-1,5-diol
PubChem CID51050570
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-(2-methoxyphenyl)pentane-1,5-diol
SMILESCOc1ccccc1C(CCO)CCO
InChIInChI=1S/C12H18O3/c1-15-12-5-3-2-4-11(12)10(6-8-13)7-9-14/h2-5,10,13-14H,6-9H2,1H3
InChIKeyIBRYIOVCJDTERH-UHFFFAOYSA-N
XLogP1.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 171871923
[5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate
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CID 117243856
4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 66092261
3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol
CID 66138442
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
1-(2-amino-3-methoxyphenyl)propane-1,3-diol
CID 105450647
3-[amino(methyl)amino]-2-(2-methoxyphenyl)propan-1-ol
CID 105464162
3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol
CID 83830990
3-(2-methoxyphenyl)pentanediamide
CID 20546356
2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
CID 171231919
2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol
CID 83930616

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)pentane-1,5-diol?
The IUPAC name of 3-(2-methoxyphenyl)pentane-1,5-diol (CID 51050570) is 3-(2-methoxyphenyl)pentane-1,5-diol.
What is the SMILES notation for 3-(2-methoxyphenyl)pentane-1,5-diol?
The canonical SMILES for 3-(2-methoxyphenyl)pentane-1,5-diol is COc1ccccc1C(CCO)CCO.
What is the InChIKey of 3-(2-methoxyphenyl)pentane-1,5-diol?
The InChIKey is IBRYIOVCJDTERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-15-12-5-3-2-4-11(12)10(6-8-13)7-9-14/h2-5,10,13-14H,6-9H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)pentane-1,5-diol?
3-(2-methoxyphenyl)pentane-1,5-diol has a molecular weight of 210.27 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)pentane-1,5-diol is sourced from PubChem (CID 51050570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).