(1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol

C11H15ClO2 — CID 90430903

IUPAC(1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol
SMILESCO[C@@H](C)[C@@H](O)c1c(C)cccc1Cl
InChIInChI=1S/C11H15ClO2/c1-7-5-4-6-9(12)10(7)11(13)8(2)14-3/h4-6,8,11,13H,1-3H3/t8-,11+/m0/s1
InChIKeyHZOGJCGKMBMHMR-GZMMTYOYSA-N
MW214.69 g/mol
LogP2.72
Rot. Bonds3

About (1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol

(1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol (PubChem CID 90430903) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is (1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol
PubChem CID90430903
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name(1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol
SMILESCO[C@@H](C)[C@@H](O)c1c(C)cccc1Cl
InChIInChI=1S/C11H15ClO2/c1-7-5-4-6-9(12)10(7)11(13)8(2)14-3/h4-6,8,11,13H,1-3H3/t8-,11+/m0/s1
InChIKeyHZOGJCGKMBMHMR-GZMMTYOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol
CID 55270715
1-(2,3-dimethylphenyl)-2-methoxypropan-1-ol
CID 79616060
4-bromo-1-(2-chloro-6-methylphenyl)butane-1,2-diol
CID 171891540
(1R,2S)-1-amino-1-(2-chloro-6-methylphenyl)-3-methylbutan-2-ol
CID 131371288
(1S,2R)-1-amino-1-(2-chloro-6-methylphenyl)-3-methylbutan-2-ol;hydrochloride
CID 171269988
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130673957
methyl 2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130059706
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
CID 171210746
1-(2-chloro-6-methylphenyl)ethyl-oxosulfanium
CID 174707356
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one
CID 131029150

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol?
The IUPAC name of (1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol (CID 90430903) is (1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol.
What is the SMILES notation for (1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol?
The canonical SMILES for (1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol is CO[C@@H](C)[C@@H](O)c1c(C)cccc1Cl.
What is the InChIKey of (1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol?
The InChIKey is HZOGJCGKMBMHMR-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-7-5-4-6-9(12)10(7)11(13)8(2)14-3/h4-6,8,11,13H,1-3H3/t8-,11+/m0/s1.
What are the key properties of (1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol?
(1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol has a molecular weight of 214.69 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol is sourced from PubChem (CID 90430903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).