(3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol

C12H10BrClO2 — CID 115800715

IUPAC(3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol
SMILESCc1ccc(Cl)cc1C(O)c1occc1Br
InChIInChI=1S/C12H10BrClO2/c1-7-2-3-8(14)6-9(7)11(15)12-10(13)4-5-16-12/h2-6,11,15H,1H3
InChIKeyAELIMHATRVMHNU-UHFFFAOYSA-N
MW301.57 g/mol
LogP4.09
Rot. Bonds2

About (3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol

(3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol (PubChem CID 115800715) has the molecular formula C12H10BrClO2 and a molecular weight of 301.57 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol
PubChem CID115800715
Molecular FormulaC12H10BrClO2
Molecular Weight301.57 g/mol
Exact Mass299.96
IUPAC Name(3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol
SMILESCc1ccc(Cl)cc1C(O)c1occc1Br
InChIInChI=1S/C12H10BrClO2/c1-7-2-3-8(14)6-9(7)11(15)12-10(13)4-5-16-12/h2-6,11,15H,1H3
InChIKeyAELIMHATRVMHNU-UHFFFAOYSA-N
XLogP4.09
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 63944186
(3-bromofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63941244
(3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 106886320
(S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol
CID 97293534
(2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol
CID 63941832
(5-chloro-2-methylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 82883722
1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 106886215
(3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol
CID 63942028
(2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine
CID 107993309
(3-bromofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 63943199
(3-bromofuran-2-yl)-(2-methyl-3-pyridinyl)methanol
CID 105099514
(2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol
CID 82890859

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol (CID 115800715) is (3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol is Cc1ccc(Cl)cc1C(O)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol?
The InChIKey is AELIMHATRVMHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClO2/c1-7-2-3-8(14)6-9(7)11(15)12-10(13)4-5-16-12/h2-6,11,15H,1H3.
What are the key properties of (3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol?
(3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol has a molecular weight of 301.57 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol is sourced from PubChem (CID 115800715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).