[2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol

C13H17ClO3 — CID 103135193

IUPAC[2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
SMILESCC1CCC(COc2cccc(Cl)c2CO)O1
InChIInChI=1S/C13H17ClO3/c1-9-5-6-10(17-9)8-16-13-4-2-3-12(14)11(13)7-15/h2-4,9-10,15H,5-8H2,1H3
InChIKeyUIQRYYNMGZMHLK-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.78
Rot. Bonds4

About [2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol

[2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol (PubChem CID 103135193) has the molecular formula C13H17ClO3 and a molecular weight of 256.73 g/mol. Its IUPAC name is [2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
PubChem CID103135193
Molecular FormulaC13H17ClO3
Molecular Weight256.73 g/mol
Exact Mass256.09
IUPAC Name[2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
SMILESCC1CCC(COc2cccc(Cl)c2CO)O1
InChIInChI=1S/C13H17ClO3/c1-9-5-6-10(17-9)8-16-13-4-2-3-12(14)11(13)7-15/h2-4,9-10,15H,5-8H2,1H3
InChIKeyUIQRYYNMGZMHLK-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134244
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 103132821
5-[(5-methyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 103135185
3-[(5-methyloxolan-2-yl)methoxy]pyridin-2-amine
CID 103132570
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103132816
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 107690882
2-methyl-N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 103133101
1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one
CID 103134352
3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 103136462
2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
3-[3-chloro-2-(hydroxymethyl)phenoxy]propane-1,2-diol
CID 82850685

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol?
The IUPAC name of [2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol (CID 103135193) is [2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol is CC1CCC(COc2cccc(Cl)c2CO)O1.
What is the InChIKey of [2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol?
The InChIKey is UIQRYYNMGZMHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO3/c1-9-5-6-10(17-9)8-16-13-4-2-3-12(14)11(13)7-15/h2-4,9-10,15H,5-8H2,1H3.
What are the key properties of [2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol?
[2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol has a molecular weight of 256.73 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 103135193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).