3-[1-(oxolan-3-yl)ethyl]phenol

C12H16O2 — CID 115019111

IUPAC3-[1-(oxolan-3-yl)ethyl]phenol
SMILESCC(c1cccc(O)c1)C1CCOC1
InChIInChI=1S/C12H16O2/c1-9(11-5-6-14-8-11)10-3-2-4-12(13)7-10/h2-4,7,9,11,13H,5-6,8H2,1H3
InChIKeyONCUGHWTHHBLFU-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.53
Rot. Bonds2

About 3-[1-(oxolan-3-yl)ethyl]phenol

3-[1-(oxolan-3-yl)ethyl]phenol (PubChem CID 115019111) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[1-(oxolan-3-yl)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(oxolan-3-yl)ethyl]phenol
PubChem CID115019111
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-[1-(oxolan-3-yl)ethyl]phenol
SMILESCC(c1cccc(O)c1)C1CCOC1
InChIInChI=1S/C12H16O2/c1-9(11-5-6-14-8-11)10-3-2-4-12(13)7-10/h2-4,7,9,11,13H,5-6,8H2,1H3
InChIKeyONCUGHWTHHBLFU-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
3-[2-amino-1-(oxolan-3-yl)ethyl]phenol
CID 105460621
3-(1-phenylethyl)oxolane
CID 150323599
3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113366833
3-[1-(thian-3-yl)ethyl]phenol
CID 115033656
3-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272818
4-[1-(oxepan-4-yl)ethyl]phenol
CID 147128517
1,3-bis(1-cyclopropylethyl)benzene
CID 91412493
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
3-[1-(2-bromophenyl)ethyl]oxolane
CID 115047473
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxolan-3-yl)ethyl]phenol?
The IUPAC name of 3-[1-(oxolan-3-yl)ethyl]phenol (CID 115019111) is 3-[1-(oxolan-3-yl)ethyl]phenol.
What is the SMILES notation for 3-[1-(oxolan-3-yl)ethyl]phenol?
The canonical SMILES for 3-[1-(oxolan-3-yl)ethyl]phenol is CC(c1cccc(O)c1)C1CCOC1.
What is the InChIKey of 3-[1-(oxolan-3-yl)ethyl]phenol?
The InChIKey is ONCUGHWTHHBLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(11-5-6-14-8-11)10-3-2-4-12(13)7-10/h2-4,7,9,11,13H,5-6,8H2,1H3.
What are the key properties of 3-[1-(oxolan-3-yl)ethyl]phenol?
3-[1-(oxolan-3-yl)ethyl]phenol has a molecular weight of 192.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxolan-3-yl)ethyl]phenol is sourced from PubChem (CID 115019111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).