[5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol

C13H15BrO2 — CID 167198531

IUPAC[5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol
SMILESCc1cc(Br)cc(CO)c1C1=CCOCC1
InChIInChI=1S/C13H15BrO2/c1-9-6-12(14)7-11(8-15)13(9)10-2-4-16-5-3-10/h2,6-7,15H,3-5,8H2,1H3
InChIKeyLBFVOOXAXCYRMY-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.05
Rot. Bonds2

About [5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol

[5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol (PubChem CID 167198531) has the molecular formula C13H15BrO2 and a molecular weight of 283.17 g/mol. Its IUPAC name is [5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol
PubChem CID167198531
Molecular FormulaC13H15BrO2
Molecular Weight283.17 g/mol
Exact Mass282.03
IUPAC Name[5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol
SMILESCc1cc(Br)cc(CO)c1C1=CCOCC1
InChIInChI=1S/C13H15BrO2/c1-9-6-12(14)7-11(8-15)13(9)10-2-4-16-5-3-10/h2,6-7,15H,3-5,8H2,1H3
InChIKeyLBFVOOXAXCYRMY-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol
CID 166983245
(5-bromo-2-methoxy-3-methylphenyl)methanol
CID 58993702
2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine
CID 139464704
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]propan-1-ol
CID 112620944
(5-bromo-3-methyl-2-propoxyphenyl)methanol
CID 112621128
4-(2-bromophenyl)-3,6-dihydro-2H-pyran
CID 22503115
[5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol
CID 112621149
[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol
CID 112621165
2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol
CID 91144788
[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol
CID 112621176
methyl 5-bromo-3-(hydroxymethyl)-2-methylbenzoate
CID 170130519
ethane;4-(5-methylthiophen-2-yl)-3,6-dihydro-2H-pyran
CID 168899149

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol?
The IUPAC name of [5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol (CID 167198531) is [5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol.
What is the SMILES notation for [5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol?
The canonical SMILES for [5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol is Cc1cc(Br)cc(CO)c1C1=CCOCC1.
What is the InChIKey of [5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol?
The InChIKey is LBFVOOXAXCYRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-9-6-12(14)7-11(8-15)13(9)10-2-4-16-5-3-10/h2,6-7,15H,3-5,8H2,1H3.
What are the key properties of [5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol?
[5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol has a molecular weight of 283.17 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]methanol is sourced from PubChem (CID 167198531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).