(2,5-dibromophenyl)-(oxolan-3-yl)methanol

C11H12Br2O2 — CID 61277086

IUPAC(2,5-dibromophenyl)-(oxolan-3-yl)methanol
SMILESOC(c1cc(Br)ccc1Br)C1CCOC1
InChIInChI=1S/C11H12Br2O2/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-2,5,7,11,14H,3-4,6H2
InChIKeyPFHLNHBQRFLDMD-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.28
Rot. Bonds2

About (2,5-dibromophenyl)-(oxolan-3-yl)methanol

(2,5-dibromophenyl)-(oxolan-3-yl)methanol (PubChem CID 61277086) has the molecular formula C11H12Br2O2 and a molecular weight of 336.02 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(oxolan-3-yl)methanol
PubChem CID61277086
Molecular FormulaC11H12Br2O2
Molecular Weight336.02 g/mol
Exact Mass333.92
IUPAC Name(2,5-dibromophenyl)-(oxolan-3-yl)methanol
SMILESOC(c1cc(Br)ccc1Br)C1CCOC1
InChIInChI=1S/C11H12Br2O2/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-2,5,7,11,14H,3-4,6H2
InChIKeyPFHLNHBQRFLDMD-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol
CID 115798116
(5-bromo-2-methylphenyl)-(oxan-3-yl)methanol
CID 107139423
(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 61277701
(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823298
[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139773
oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol
CID 63896019
(2-chlorophenyl)-(oxolan-3-yl)methanol
CID 63564171
(2-fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol
CID 105462722
(2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol
CID 64904990
(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
CID 115798171

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(oxolan-3-yl)methanol?
The IUPAC name of (2,5-dibromophenyl)-(oxolan-3-yl)methanol (CID 61277086) is (2,5-dibromophenyl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (2,5-dibromophenyl)-(oxolan-3-yl)methanol?
The canonical SMILES for (2,5-dibromophenyl)-(oxolan-3-yl)methanol is OC(c1cc(Br)ccc1Br)C1CCOC1.
What is the InChIKey of (2,5-dibromophenyl)-(oxolan-3-yl)methanol?
The InChIKey is PFHLNHBQRFLDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O2/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-2,5,7,11,14H,3-4,6H2.
What are the key properties of (2,5-dibromophenyl)-(oxolan-3-yl)methanol?
(2,5-dibromophenyl)-(oxolan-3-yl)methanol has a molecular weight of 336.02 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 61277086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).