4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol

C12H16O3 — CID 44611839

IUPAC4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol
SMILESOc1ccc(CCC2CCOC2)c(O)c1
InChIInChI=1S/C12H16O3/c13-11-4-3-10(12(14)7-11)2-1-9-5-6-15-8-9/h3-4,7,9,13-14H,1-2,5-6,8H2
InChIKeyIOVVVXZZORLLSW-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.07
Rot. Bonds3

About 4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol

4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol (PubChem CID 44611839) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol
PubChem CID44611839
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol
SMILESOc1ccc(CCC2CCOC2)c(O)c1
InChIInChI=1S/C12H16O3/c13-11-4-3-10(12(14)7-11)2-1-9-5-6-15-8-9/h3-4,7,9,13-14H,1-2,5-6,8H2
InChIKeyIOVVVXZZORLLSW-UHFFFAOYSA-N
XLogP2.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
3-[2-(4-ethyl-2-nitrophenyl)ethyl]oxolane
CID 161340759
4-(4-amino-2,6-dimethylphenoxy)-2-[2-(oxolan-3-yl)ethyl]phenol
CID 139998747
2-[1-(oxolan-3-ylmethylamino)ethyl]benzene-1,4-diol
CID 54931891
4-[(1,4-dioxan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 54907352
N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 155456517
3-[(oxolan-3-ylmethylamino)methyl]phenol
CID 60920792
N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920891
4-[2-(4-fluorophenyl)ethyl]oxane
CID 141096687
3-[[(3R)-oxolan-3-yl]methylamino]quinolin-6-ol
CID 129410623
N-[(2-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 61040054
2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43193588

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol (CID 44611839) is 4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol is Oc1ccc(CCC2CCOC2)c(O)c1.
What is the InChIKey of 4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol?
The InChIKey is IOVVVXZZORLLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-11-4-3-10(12(14)7-11)2-1-9-5-6-15-8-9/h3-4,7,9,13-14H,1-2,5-6,8H2.
What are the key properties of 4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol?
4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol has a molecular weight of 208.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-3-yl)ethyl]benzene-1,3-diol is sourced from PubChem (CID 44611839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).