4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol

C14H16O4 — CID 24879478

IUPAC4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol
SMILESOC[C@H](OCCc1ccc(O)cc1)c1ccco1
InChIInChI=1S/C14H16O4/c15-10-14(13-2-1-8-17-13)18-9-7-11-3-5-12(16)6-4-11/h1-6,8,14-16H,7,9-10H2/t14-/m0/s1
InChIKeyPUFLCQMPJAHYJQ-AWEZNQCLSA-N
MW248.28 g/mol
LogP2.28
Rot. Bonds6

About 4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol

4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol (PubChem CID 24879478) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol
PubChem CID24879478
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol
SMILESOC[C@H](OCCc1ccc(O)cc1)c1ccco1
InChIInChI=1S/C14H16O4/c15-10-14(13-2-1-8-17-13)18-9-7-11-3-5-12(16)6-4-11/h1-6,8,14-16H,7,9-10H2/t14-/m0/s1
InChIKeyPUFLCQMPJAHYJQ-AWEZNQCLSA-N
XLogP2.28
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol?
The IUPAC name of 4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol (CID 24879478) is 4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol.
What is the SMILES notation for 4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol?
The canonical SMILES for 4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol is OC[C@H](OCCc1ccc(O)cc1)c1ccco1.
What is the InChIKey of 4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol?
The InChIKey is PUFLCQMPJAHYJQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16O4/c15-10-14(13-2-1-8-17-13)18-9-7-11-3-5-12(16)6-4-11/h1-6,8,14-16H,7,9-10H2/t14-/m0/s1.
What are the key properties of 4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol?
4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol has a molecular weight of 248.28 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol is sourced from PubChem (CID 24879478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).