1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol

C18H18O4 — CID 166387570

IUPAC1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol
SMILESCC(O)c1ccc(Oc2ccc(C3=COCCO3)cc2)cc1
InChIInChI=1S/C18H18O4/c1-13(19)14-2-6-16(7-3-14)22-17-8-4-15(5-9-17)18-12-20-10-11-21-18/h2-9,12-13,19H,10-11H2,1H3
InChIKeyVHISWQRTCBVUCC-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.88
Rot. Bonds4

About 1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol

1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol (PubChem CID 166387570) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol
PubChem CID166387570
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol
SMILESCC(O)c1ccc(Oc2ccc(C3=COCCO3)cc2)cc1
InChIInChI=1S/C18H18O4/c1-13(19)14-2-6-16(7-3-14)22-17-8-4-15(5-9-17)18-12-20-10-11-21-18/h2-9,12-13,19H,10-11H2,1H3
InChIKeyVHISWQRTCBVUCC-UHFFFAOYSA-N
XLogP3.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol?
The IUPAC name of 1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol (CID 166387570) is 1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol is CC(O)c1ccc(Oc2ccc(C3=COCCO3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol?
The InChIKey is VHISWQRTCBVUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-13(19)14-2-6-16(7-3-14)22-17-8-4-15(5-9-17)18-12-20-10-11-21-18/h2-9,12-13,19H,10-11H2,1H3.
What are the key properties of 1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol?
1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol has a molecular weight of 298.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol is sourced from PubChem (CID 166387570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).