[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol

C12H15ClO3 — CID 116829719

IUPAC[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol
SMILESCOc1cc(C)c(C2(CO)COC2)cc1Cl
InChIInChI=1S/C12H15ClO3/c1-8-3-11(15-2)10(13)4-9(8)12(5-14)6-16-7-12/h3-4,14H,5-7H2,1-2H3
InChIKeyOPTRGXIGOXQOMA-UHFFFAOYSA-N
MW242.70 g/mol
LogP1.92
Rot. Bonds3

About [3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol

[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol (PubChem CID 116829719) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is [3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol
PubChem CID116829719
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol
SMILESCOc1cc(C)c(C2(CO)COC2)cc1Cl
InChIInChI=1S/C12H15ClO3/c1-8-3-11(15-2)10(13)4-9(8)12(5-14)6-16-7-12/h3-4,14H,5-7H2,1-2H3
InChIKeyOPTRGXIGOXQOMA-UHFFFAOYSA-N
XLogP1.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-4-methoxy-2-methylphenyl)oxetane-3-thiol
CID 116872868
3-(5-chloro-4-methoxy-2-methylphenyl)oxetane-3-carbaldehyde
CID 116872346
3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine
CID 116870718
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873839
[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol
CID 116829775
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate
CID 116873446
4-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]butan-2-one
CID 116873901
[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol
CID 116829779
[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874726
3-chloro-3-(4-methoxy-2,5-dimethylphenyl)oxetane
CID 116876485
2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol
CID 116874500

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol?
The IUPAC name of [3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol (CID 116829719) is [3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol.
What is the SMILES notation for [3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol?
The canonical SMILES for [3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol is COc1cc(C)c(C2(CO)COC2)cc1Cl.
What is the InChIKey of [3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol?
The InChIKey is OPTRGXIGOXQOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-8-3-11(15-2)10(13)4-9(8)12(5-14)6-16-7-12/h3-4,14H,5-7H2,1-2H3.
What are the key properties of [3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol?
[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol has a molecular weight of 242.70 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol is sourced from PubChem (CID 116829719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).