3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol

C14H16O4 — CID 117246268

IUPAC3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol
SMILESOCC(COc1cccc(O)c1)Cc1ccco1
InChIInChI=1S/C14H16O4/c15-9-11(7-13-5-2-6-17-13)10-18-14-4-1-3-12(16)8-14/h1-6,8,11,15-16H,7,9-10H2
InChIKeyMUGGQRTYOJHNCG-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.22
Rot. Bonds6

About 3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol

3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol (PubChem CID 117246268) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol.

Molecular Properties

Compound Name3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol
PubChem CID117246268
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol
SMILESOCC(COc1cccc(O)c1)Cc1ccco1
InChIInChI=1S/C14H16O4/c15-9-11(7-13-5-2-6-17-13)10-18-14-4-1-3-12(16)8-14/h1-6,8,11,15-16H,7,9-10H2
InChIKeyMUGGQRTYOJHNCG-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(aminomethyl)-3-(furan-2-yl)propoxy]phenol
CID 117246266
2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol
CID 117246279
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propan-1-ol
CID 66058670
1-(furan-2-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 117246144
1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol
CID 117246130
3-[2-(hydroxymethyl)-3,3-dimethylbutoxy]phenol
CID 117242401
2-[(3-chlorophenoxy)methyl]-3-(furan-2-yl)propanoic acid
CID 117246393
(3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid
CID 142030961
3-(2-cyclohexyl-3-hydroxypropoxy)phenol
CID 117245989
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
3-(2-fluoropropoxy)phenol
CID 84653742
1-(3-chlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 167784638

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol?
The IUPAC name of 3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol (CID 117246268) is 3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol.
What is the SMILES notation for 3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol?
The canonical SMILES for 3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol is OCC(COc1cccc(O)c1)Cc1ccco1.
What is the InChIKey of 3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol?
The InChIKey is MUGGQRTYOJHNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c15-9-11(7-13-5-2-6-17-13)10-18-14-4-1-3-12(16)8-14/h1-6,8,11,15-16H,7,9-10H2.
What are the key properties of 3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol?
3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol has a molecular weight of 248.28 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-ylmethyl)-3-hydroxypropoxy]phenol is sourced from PubChem (CID 117246268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).