1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol

C13H17ClO3 — CID 55030981

IUPAC1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OCC1CCOC1
InChIInChI=1S/C13H17ClO3/c1-9(15)12-6-11(14)2-3-13(12)17-8-10-4-5-16-7-10/h2-3,6,9-10,15H,4-5,7-8H2,1H3
InChIKeyJQFBSDJZLKQMFA-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.81
Rot. Bonds4

About 1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol

1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol (PubChem CID 55030981) has the molecular formula C13H17ClO3 and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol
PubChem CID55030981
Molecular FormulaC13H17ClO3
Molecular Weight256.73 g/mol
Exact Mass256.09
IUPAC Name1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OCC1CCOC1
InChIInChI=1S/C13H17ClO3/c1-9(15)12-6-11(14)2-3-13(12)17-8-10-4-5-16-7-10/h2-3,6,9-10,15H,4-5,7-8H2,1H3
InChIKeyJQFBSDJZLKQMFA-UHFFFAOYSA-N
XLogP2.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 63365892
1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 62378836
(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 78947172
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135137
[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 63081811
5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63364467
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 78931750
(1S)-1-[5-chloro-2-(3,3-dimethylbutoxy)phenyl]ethanol
CID 78931515
3-chloro-4-(oxolan-3-ylmethoxy)benzoic acid
CID 61379805

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol?
The IUPAC name of 1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol (CID 55030981) is 1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol is CC(O)c1cc(Cl)ccc1OCC1CCOC1.
What is the InChIKey of 1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol?
The InChIKey is JQFBSDJZLKQMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO3/c1-9(15)12-6-11(14)2-3-13(12)17-8-10-4-5-16-7-10/h2-3,6,9-10,15H,4-5,7-8H2,1H3.
What are the key properties of 1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol?
1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol has a molecular weight of 256.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 55030981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).