1-[4-(4-methoxyphenyl)phenoxy]ethanol

C15H16O3 — CID 19939691

IUPAC1-[4-(4-methoxyphenyl)phenoxy]ethanol
SMILESCOc1ccc(-c2ccc(OC(C)O)cc2)cc1
InChIInChI=1S/C15H16O3/c1-11(16)18-15-9-5-13(6-10-15)12-3-7-14(17-2)8-4-12/h3-11,16H,1-2H3
InChIKeyZZVLCHDHQBLEJC-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.08
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)phenoxy]ethanol

1-[4-(4-methoxyphenyl)phenoxy]ethanol (PubChem CID 19939691) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)phenoxy]ethanol.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)phenoxy]ethanol
PubChem CID19939691
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name1-[4-(4-methoxyphenyl)phenoxy]ethanol
SMILESCOc1ccc(-c2ccc(OC(C)O)cc2)cc1
InChIInChI=1S/C15H16O3/c1-11(16)18-15-9-5-13(6-10-15)12-3-7-14(17-2)8-4-12/h3-11,16H,1-2H3
InChIKeyZZVLCHDHQBLEJC-UHFFFAOYSA-N
XLogP3.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

anisole;1-phenoxyethanol
CID 143208941
1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-phenylanilino)phenoxy]ethanol
CID 71095144
1-[4-(dimethoxymethyl)phenoxy]ethanol
CID 18551503
1-phenoxyethanol
CID 66611531
1-phenoxyethanol;trihydrate
CID 175915128
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
CID 139694053
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
(2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one
CID 2571565
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
CID 175713586
CID 175713586
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)phenoxy]ethanol?
The IUPAC name of 1-[4-(4-methoxyphenyl)phenoxy]ethanol (CID 19939691) is 1-[4-(4-methoxyphenyl)phenoxy]ethanol.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)phenoxy]ethanol?
The canonical SMILES for 1-[4-(4-methoxyphenyl)phenoxy]ethanol is COc1ccc(-c2ccc(OC(C)O)cc2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)phenoxy]ethanol?
The InChIKey is ZZVLCHDHQBLEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-11(16)18-15-9-5-13(6-10-15)12-3-7-14(17-2)8-4-12/h3-11,16H,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)phenoxy]ethanol?
1-[4-(4-methoxyphenyl)phenoxy]ethanol has a molecular weight of 244.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)phenoxy]ethanol is sourced from PubChem (CID 19939691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).