1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol

C14H19ClO3 — CID 103135137

IUPAC1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
SMILESCC1CCC(COc2ccc(Cl)cc2C(C)O)O1
InChIInChI=1S/C14H19ClO3/c1-9-3-5-12(18-9)8-17-14-6-4-11(15)7-13(14)10(2)16/h4,6-7,9-10,12,16H,3,5,8H2,1-2H3
InChIKeyLGTNEMZYKKEQRK-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.34
Rot. Bonds4

About 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol

1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol (PubChem CID 103135137) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
PubChem CID103135137
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
SMILESCC1CCC(COc2ccc(Cl)cc2C(C)O)O1
InChIInChI=1S/C14H19ClO3/c1-9-3-5-12(18-9)8-17-14-6-4-11(15)7-13(14)10(2)16/h4,6-7,9-10,12,16H,3,5,8H2,1-2H3
InChIKeyLGTNEMZYKKEQRK-UHFFFAOYSA-N
XLogP3.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 55030981
1-[4-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135196
5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63364467
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136586
1-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-3-methylbutan-2-ol
CID 114249646
3-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-1-ol
CID 104881539
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
(1S)-1-[5-chloro-2-(3,3-dimethylbutoxy)phenyl]ethanol
CID 78931515
(1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133470
1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
CID 65175757
(1S)-1-[5-chloro-2-(2-methylpentoxy)phenyl]ethanol
CID 78931429

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol (CID 103135137) is 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol is CC1CCC(COc2ccc(Cl)cc2C(C)O)O1.
What is the InChIKey of 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol?
The InChIKey is LGTNEMZYKKEQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-9-3-5-12(18-9)8-17-14-6-4-11(15)7-13(14)10(2)16/h4,6-7,9-10,12,16H,3,5,8H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol?
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol has a molecular weight of 270.76 g/mol, XLogP of 3.34, 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-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 103135137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).