3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol

C15H17ClO3 — CID 166983245

IUPAC3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol
SMILESCc1cc(Cl)cc(C2(O)COC2)c1C1=CCOCC1
InChIInChI=1S/C15H17ClO3/c1-10-6-12(16)7-13(15(17)8-19-9-15)14(10)11-2-4-18-5-3-11/h2,6-7,17H,3-5,8-9H2,1H3
InChIKeyYTBZDFRQSQOIPO-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.67
Rot. Bonds2

About 3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol

3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol (PubChem CID 166983245) has the molecular formula C15H17ClO3 and a molecular weight of 280.75 g/mol. Its IUPAC name is 3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol
PubChem CID166983245
Molecular FormulaC15H17ClO3
Molecular Weight280.75 g/mol
Exact Mass280.09
IUPAC Name3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol
SMILESCc1cc(Cl)cc(C2(O)COC2)c1C1=CCOCC1
InChIInChI=1S/C15H17ClO3/c1-10-6-12(16)7-13(15(17)8-19-9-15)14(10)11-2-4-18-5-3-11/h2,6-7,17H,3-5,8-9H2,1H3
InChIKeyYTBZDFRQSQOIPO-UHFFFAOYSA-N
XLogP2.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol
CID 167198531
3-(2,4-dichlorophenyl)oxetan-3-ol
CID 83690306
4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole
CID 121273540
6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol
CID 176973357
3-(5-bromo-2-methylphenyl)oxetan-3-ol
CID 116873033
1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine
CID 84773855
3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol
CID 116872991
4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane
CID 177229893
3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol
CID 90202624
2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine
CID 139472815
5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90151271
6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine
CID 82194392

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol?
The IUPAC name of 3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol (CID 166983245) is 3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol.
What is the SMILES notation for 3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol?
The canonical SMILES for 3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol is Cc1cc(Cl)cc(C2(O)COC2)c1C1=CCOCC1.
What is the InChIKey of 3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol?
The InChIKey is YTBZDFRQSQOIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO3/c1-10-6-12(16)7-13(15(17)8-19-9-15)14(10)11-2-4-18-5-3-11/h2,6-7,17H,3-5,8-9H2,1H3.
What are the key properties of 3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol?
3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol has a molecular weight of 280.75 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol is sourced from PubChem (CID 166983245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).