[1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol

C14H12ClN3O3 — CID 82196667

IUPAC[1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol
SMILESCOc1ccc(-n2nnc(CO)c2-c2ccco2)cc1Cl
InChIInChI=1S/C14H12ClN3O3/c1-20-12-5-4-9(7-10(12)15)18-14(11(8-19)16-17-18)13-3-2-6-21-13/h2-7,19H,8H2,1H3
InChIKeyJUAKTTAHWWODIJ-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.68
Rot. Bonds4

About [1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol

[1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol (PubChem CID 82196667) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is [1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol
PubChem CID82196667
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name[1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol
SMILESCOc1ccc(-n2nnc(CO)c2-c2ccco2)cc1Cl
InChIInChI=1S/C14H12ClN3O3/c1-20-12-5-4-9(7-10(12)15)18-14(11(8-19)16-17-18)13-3-2-6-21-13/h2-7,19H,8H2,1H3
InChIKeyJUAKTTAHWWODIJ-UHFFFAOYSA-N
XLogP2.68
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol
CID 82200760
[1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82197918
1-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)triazole-4-carbonitrile
CID 82195388
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxyphenyl)triazol-4-yl]methanol
CID 56769361
[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 56769452
N-[3-[1-(3-chloro-4-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
CID 22424662
[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine
CID 62737585
[1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82195251
1-(3-chloro-4-methoxyphenyl)-5-ethyltriazole-4-carbaldehyde
CID 82196646
[5-(4-methoxyphenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769366
3-(3-chloro-4-methylphenyl)-5-(furan-2-yl)triazol-4-amine
CID 82370656
2-(2-bromo-4-chloro-5-methoxyphenyl)furan
CID 168525902

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol (CID 82196667) is [1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol is COc1ccc(-n2nnc(CO)c2-c2ccco2)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol?
The InChIKey is JUAKTTAHWWODIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-20-12-5-4-9(7-10(12)15)18-14(11(8-19)16-17-18)13-3-2-6-21-13/h2-7,19H,8H2,1H3.
What are the key properties of [1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol?
[1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol has a molecular weight of 305.72 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol is sourced from PubChem (CID 82196667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).