1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol

C11H16O4 — CID 161419834

IUPAC1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(OC(C)O)cc1
InChIInChI=1S/C11H16O4/c1-8(12)7-14-10-3-5-11(6-4-10)15-9(2)13/h3-6,8-9,12-13H,7H2,1-2H3
InChIKeyTUOZKJDSFDCWRC-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.16
Rot. Bonds5

About 1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol

1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol (PubChem CID 161419834) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
PubChem CID161419834
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(OC(C)O)cc1
InChIInChI=1S/C11H16O4/c1-8(12)7-14-10-3-5-11(6-4-10)15-9(2)13/h3-6,8-9,12-13H,7H2,1-2H3
InChIKeyTUOZKJDSFDCWRC-UHFFFAOYSA-N
XLogP1.16
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-iodophenoxy)propan-2-ol
CID 65277775
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
ethane;1-phenoxypropan-2-ol
CID 90926921
1-[4-[(1S)-1-aminopropyl]phenoxy]propan-2-ol
CID 63367838
1-[4-(1-aminopropyl)phenoxy]propan-2-ol
CID 60880327
bis[4-(2-hydroxypropoxy)phenyl]-dimethylazanium;methane
CID 161004546
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
1-(4-pyridin-4-yloxyphenoxy)propan-2-ol
CID 19982181
1-ethoxypropan-2-ol;1-phenoxypropan-2-ol
CID 70813597
acetic acid;1-phenoxypropan-2-ol
CID 68567525
1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159194222
1-(4-pentylphenoxy)propan-2-ol
CID 142276328

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol?
The IUPAC name of 1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol (CID 161419834) is 1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol is CC(O)COc1ccc(OC(C)O)cc1.
What is the InChIKey of 1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol?
The InChIKey is TUOZKJDSFDCWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-8(12)7-14-10-3-5-11(6-4-10)15-9(2)13/h3-6,8-9,12-13H,7H2,1-2H3.
What are the key properties of 1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol?
1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol has a molecular weight of 212.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol is sourced from PubChem (CID 161419834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).