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

C13H15BrO2 — CID 115831444

IUPAC(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
SMILESCc1cc(Br)cc(C(O)C2=COCCC2)c1
InChIInChI=1S/C13H15BrO2/c1-9-5-11(7-12(14)6-9)13(15)10-3-2-4-16-8-10/h5-8,13,15H,2-4H2,1H3
InChIKeyAIGROAAPCSJFBS-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.49
Rot. Bonds2

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

(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol (PubChem CID 115831444) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
PubChem CID115831444
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
SMILESCc1cc(Br)cc(C(O)C2=COCCC2)c1
InChIInChI=1S/C13H15BrO2/c1-9-5-11(7-12(14)6-9)13(15)10-3-2-4-16-8-10/h5-8,13,15H,2-4H2,1H3
InChIKeyAIGROAAPCSJFBS-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 106859492
3,4-dihydro-2H-pyran-5-yl-(5-methylpyrazin-2-yl)methanol
CID 105124479
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
1-(3-bromo-5-methylphenyl)ethanol
CID 84680750
(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 115831581
(4-cyclopropylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 113370484
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105179387
1-(3-bromo-4-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033416
3,4-dihydro-2H-pyran-5-yl-(2,6-dimethyl-3-pyridinyl)methanol
CID 105124497
1-(6-bromonaphthalen-2-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033542
(5-bromo-2-methylfuran-3-yl)-(2,3-dihydrofuran-4-yl)methanol
CID 131059220
(3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 113460971

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol?
The IUPAC name of (3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol (CID 115831444) is (3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol?
The canonical SMILES for (3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol is Cc1cc(Br)cc(C(O)C2=COCCC2)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol?
The InChIKey is AIGROAAPCSJFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-9-5-11(7-12(14)6-9)13(15)10-3-2-4-16-8-10/h5-8,13,15H,2-4H2,1H3.
What are the key properties of (3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol?
(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol has a molecular weight of 283.16 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol is sourced from PubChem (CID 115831444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).