1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol

C12H15ClO2 — CID 117326037

IUPAC1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol
SMILESCC(O)c1ccc(C2CCOC2)c(Cl)c1
InChIInChI=1S/C12H15ClO2/c1-8(14)9-2-3-11(12(13)6-9)10-4-5-15-7-10/h2-3,6,8,10,14H,4-5,7H2,1H3
InChIKeyDPJXSQULUIVGKL-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.90
Rot. Bonds2

About 1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol

1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol (PubChem CID 117326037) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol
PubChem CID117326037
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol
SMILESCC(O)c1ccc(C2CCOC2)c(Cl)c1
InChIInChI=1S/C12H15ClO2/c1-8(14)9-2-3-11(12(13)6-9)10-4-5-15-7-10/h2-3,6,8,10,14H,4-5,7H2,1H3
InChIKeyDPJXSQULUIVGKL-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(oxolan-3-yl)phenol
CID 84668553
(1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol
CID 55183017
3-amino-2-[3-chloro-4-(oxan-4-yl)phenyl]propanoic acid
CID 117456082
5-[3-chloro-4-(oxolan-3-yl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 117491914
2-amino-1-[3-bromo-4-(oxolan-3-yl)phenyl]ethanol
CID 117460859
3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine
CID 117418869
2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine
CID 117418918
1-(3-chloro-4-cyclopropylphenyl)propan-2-ol
CID 117300896
1-[3-bromo-4-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82741897
(1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
CID 78939185
1-(4-amino-3-chlorophenyl)ethanol
CID 126971129
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol
CID 63835939

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol (CID 117326037) is 1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol is CC(O)c1ccc(C2CCOC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol?
The InChIKey is DPJXSQULUIVGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8(14)9-2-3-11(12(13)6-9)10-4-5-15-7-10/h2-3,6,8,10,14H,4-5,7H2,1H3.
What are the key properties of 1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol?
1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol has a molecular weight of 226.70 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol is sourced from PubChem (CID 117326037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).