1-(4-methoxyphenoxy)propane-1,3-diol

C10H14O4 — CID 19593615

IUPAC1-(4-methoxyphenoxy)propane-1,3-diol
SMILESCOc1ccc(OC(O)CCO)cc1
InChIInChI=1S/C10H14O4/c1-13-8-2-4-9(5-3-8)14-10(12)6-7-11/h2-5,10-12H,6-7H2,1H3
InChIKeyBXEMIUVGJSZMBH-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.77
Rot. Bonds5

About 1-(4-methoxyphenoxy)propane-1,3-diol

1-(4-methoxyphenoxy)propane-1,3-diol (PubChem CID 19593615) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)propane-1,3-diol.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)propane-1,3-diol
PubChem CID19593615
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name1-(4-methoxyphenoxy)propane-1,3-diol
SMILESCOc1ccc(OC(O)CCO)cc1
InChIInChI=1S/C10H14O4/c1-13-8-2-4-9(5-3-8)14-10(12)6-7-11/h2-5,10-12H,6-7H2,1H3
InChIKeyBXEMIUVGJSZMBH-UHFFFAOYSA-N
XLogP0.77
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.77
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

4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(5S)-5-(4-methoxyphenoxy)hexan-1-ol
CID 11436040
2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol
CID 70271768
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947
8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide
CID 163487525
3-(3,5-dimethoxyphenoxy)butan-1-ol
CID 112508096
1-[4-(4-methoxyphenyl)phenoxy]ethanol
CID 19939691
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
1-(4-chlorophenoxy)butan-1-ol
CID 23332143
2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)propane-1,3-diol?
The IUPAC name of 1-(4-methoxyphenoxy)propane-1,3-diol (CID 19593615) is 1-(4-methoxyphenoxy)propane-1,3-diol.
What is the SMILES notation for 1-(4-methoxyphenoxy)propane-1,3-diol?
The canonical SMILES for 1-(4-methoxyphenoxy)propane-1,3-diol is COc1ccc(OC(O)CCO)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)propane-1,3-diol?
The InChIKey is BXEMIUVGJSZMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-13-8-2-4-9(5-3-8)14-10(12)6-7-11/h2-5,10-12H,6-7H2,1H3.
What are the key properties of 1-(4-methoxyphenoxy)propane-1,3-diol?
1-(4-methoxyphenoxy)propane-1,3-diol has a molecular weight of 198.22 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)propane-1,3-diol is sourced from PubChem (CID 19593615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).