[5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol

C12H10Cl2O2 — CID 118628444

IUPAC[5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol
SMILESOCc1cc(Cc2cccc(Cl)c2)c(Cl)o1
InChIInChI=1S/C12H10Cl2O2/c13-10-3-1-2-8(5-10)4-9-6-11(7-15)16-12(9)14/h1-3,5-6,15H,4,7H2
InChIKeyVLAKUZJOITUDBB-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.67
Rot. Bonds3

About [5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol

[5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol (PubChem CID 118628444) has the molecular formula C12H10Cl2O2 and a molecular weight of 257.12 g/mol. Its IUPAC name is [5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol
PubChem CID118628444
Molecular FormulaC12H10Cl2O2
Molecular Weight257.12 g/mol
Exact Mass256.01
IUPAC Name[5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol
SMILESOCc1cc(Cc2cccc(Cl)c2)c(Cl)o1
InChIInChI=1S/C12H10Cl2O2/c13-10-3-1-2-8(5-10)4-9-6-11(7-15)16-12(9)14/h1-3,5-6,15H,4,7H2
InChIKeyVLAKUZJOITUDBB-UHFFFAOYSA-N
XLogP3.67
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine
CID 23130572
[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol
CID 115093698
4-chloro-2-[(3-chlorophenyl)methyl]aniline
CID 21497394
[5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol
CID 67553303
[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 63757779
5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine
CID 66629043
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881
1-(3-chlorophenyl)propan-2-one
CID 2734097
2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
CID 63386452
CID 24798849
CID 24798849
1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
CID 10705500
1-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115091371

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol?
The IUPAC name of [5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol (CID 118628444) is [5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol is OCc1cc(Cc2cccc(Cl)c2)c(Cl)o1.
What is the InChIKey of [5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol?
The InChIKey is VLAKUZJOITUDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2O2/c13-10-3-1-2-8(5-10)4-9-6-11(7-15)16-12(9)14/h1-3,5-6,15H,4,7H2.
What are the key properties of [5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol?
[5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol has a molecular weight of 257.12 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol is sourced from PubChem (CID 118628444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).