(2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol

C11H12Br2O3S — CID 64904990

IUPAC(2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol
SMILESO=S1(=O)CCC(C(O)c2cc(Br)ccc2Br)C1
InChIInChI=1S/C11H12Br2O3S/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-17(15,16)6-7/h1-2,5,7,11,14H,3-4,6H2
InChIKeyDRIPTQPFEWYGAL-UHFFFAOYSA-N
MW384.09 g/mol
LogP2.68
Rot. Bonds2

About (2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol

(2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol (PubChem CID 64904990) has the molecular formula C11H12Br2O3S and a molecular weight of 384.09 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol
PubChem CID64904990
Molecular FormulaC11H12Br2O3S
Molecular Weight384.09 g/mol
Exact Mass381.89
IUPAC Name(2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol
SMILESO=S1(=O)CCC(C(O)c2cc(Br)ccc2Br)C1
InChIInChI=1S/C11H12Br2O3S/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-17(15,16)6-7/h1-2,5,7,11,14H,3-4,6H2
InChIKeyDRIPTQPFEWYGAL-UHFFFAOYSA-N
XLogP2.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.09
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methylphenyl)-(1,1-dioxothiolan-3-yl)methanol
CID 105410237
(3-bromo-4-chlorophenyl)-(1,1-dioxothiolan-3-yl)methanol
CID 83230480
(5-bromoquinolin-8-yl)-(1,1-dioxothiolan-3-yl)methanol
CID 115960199
(2,5-dibromophenyl)-(oxolan-3-yl)methanol
CID 61277086
1-[2-[(1,1-dioxothiolan-3-yl)-hydroxymethyl]phenyl]ethanone
CID 115050015
4-[(1,1-dioxothiolan-3-yl)-hydroxymethyl]phenol
CID 115044716
(2-bromo-5-methylphenyl)-cyclopropylmethanol
CID 115810293
3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiolane 1,1-dioxide
CID 79597367
1-benzothiophen-3-yl-(1,1-dioxothiolan-3-yl)methanol
CID 64906431
(5-bromo-2-chlorophenyl)-cyclopropylmethanol
CID 115810196
3-[(4-bromo-2,5-difluorophenyl)-chloromethyl]thiolane 1,1-dioxide
CID 64905816
(1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol
CID 115336470

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol?
The IUPAC name of (2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol (CID 64904990) is (2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol.
What is the SMILES notation for (2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol?
The canonical SMILES for (2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol is O=S1(=O)CCC(C(O)c2cc(Br)ccc2Br)C1.
What is the InChIKey of (2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol?
The InChIKey is DRIPTQPFEWYGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O3S/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-17(15,16)6-7/h1-2,5,7,11,14H,3-4,6H2.
What are the key properties of (2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol?
(2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol has a molecular weight of 384.09 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol is sourced from PubChem (CID 64904990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).