3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol

C14H22O3 — CID 114494412

IUPAC3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1cccc(C(C)O)c1
InChIInChI=1S/C14H22O3/c1-4-14(16,5-2)10-17-13-8-6-7-12(9-13)11(3)15/h6-9,11,15-16H,4-5,10H2,1-3H3
InChIKeyKAMPUJYQYLOTFV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.67
Rot. Bonds6

About 3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol

3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol (PubChem CID 114494412) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol
PubChem CID114494412
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1cccc(C(C)O)c1
InChIInChI=1S/C14H22O3/c1-4-14(16,5-2)10-17-13-8-6-7-12(9-13)11(3)15/h6-9,11,15-16H,4-5,10H2,1-3H3
InChIKeyKAMPUJYQYLOTFV-UHFFFAOYSA-N
XLogP2.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol
CID 69097533
1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 104930630
4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol
CID 69097318
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
N-[3-[3-(2-ethyl-2-hydroxybutoxy)phenyl]-3-hydroxypropyl]-N-methylacetamide
CID 143785924
1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol
CID 116789730
1-[3-(2-methylbutoxy)phenyl]ethanol
CID 62104387
3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol
CID 114494496
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772
3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
CID 82849501

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol?
The IUPAC name of 3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol (CID 114494412) is 3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol?
The canonical SMILES for 3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol is CCC(O)(CC)COc1cccc(C(C)O)c1.
What is the InChIKey of 3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol?
The InChIKey is KAMPUJYQYLOTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-14(16,5-2)10-17-13-8-6-7-12(9-13)11(3)15/h6-9,11,15-16H,4-5,10H2,1-3H3.
What are the key properties of 3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol?
3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol has a molecular weight of 238.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 114494412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).