1-(2-methoxyphenoxy)pentan-3-ol

C12H18O3 — CID 112501425

IUPAC1-(2-methoxyphenoxy)pentan-3-ol
SMILESCCC(O)CCOc1ccccc1OC
InChIInChI=1S/C12H18O3/c1-3-10(13)8-9-15-12-7-5-4-6-11(12)14-2/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyUNXRCDCFPNEQQY-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.23
Rot. Bonds6

About 1-(2-methoxyphenoxy)pentan-3-ol

1-(2-methoxyphenoxy)pentan-3-ol (PubChem CID 112501425) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(2-methoxyphenoxy)pentan-3-ol.

Molecular Properties

Compound Name1-(2-methoxyphenoxy)pentan-3-ol
PubChem CID112501425
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(2-methoxyphenoxy)pentan-3-ol
SMILESCCC(O)CCOc1ccccc1OC
InChIInChI=1S/C12H18O3/c1-3-10(13)8-9-15-12-7-5-4-6-11(12)14-2/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyUNXRCDCFPNEQQY-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(2-methoxyphenoxy)butan-2-ol
CID 117236738
4-(3-hydroxypentoxy)-3-methoxybenzaldehyde
CID 174669406
4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 66060440
N-(3-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115703728
1-[4-chloro-3-(chloromethyl)butoxy]-2-methoxybenzene
CID 79447279
6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol
CID 68780789
1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol
CID 24906226
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol
CID 64803973
2-(2-methoxyphenoxy)ethyl-methylazanium
CID 7438015
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
CID 63041236

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenoxy)pentan-3-ol?
The IUPAC name of 1-(2-methoxyphenoxy)pentan-3-ol (CID 112501425) is 1-(2-methoxyphenoxy)pentan-3-ol.
What is the SMILES notation for 1-(2-methoxyphenoxy)pentan-3-ol?
The canonical SMILES for 1-(2-methoxyphenoxy)pentan-3-ol is CCC(O)CCOc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenoxy)pentan-3-ol?
The InChIKey is UNXRCDCFPNEQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-10(13)8-9-15-12-7-5-4-6-11(12)14-2/h4-7,10,13H,3,8-9H2,1-2H3.
What are the key properties of 1-(2-methoxyphenoxy)pentan-3-ol?
1-(2-methoxyphenoxy)pentan-3-ol has a molecular weight of 210.27 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenoxy)pentan-3-ol is sourced from PubChem (CID 112501425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).