(2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol

C21H19Cl2NO2 — CID 143395972

IUPAC(2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol
SMILESCC1CCc2nc(-c3ccc(C(O)c4cc(Cl)ccc4Cl)cc3)oc2C1
InChIInChI=1S/C21H19Cl2NO2/c1-12-2-9-18-19(10-12)26-21(24-18)14-5-3-13(4-6-14)20(25)16-11-15(22)7-8-17(16)23/h3-8,11-12,20,25H,2,9-10H2,1H3
InChIKeyHGZQSXSIPZEKEY-UHFFFAOYSA-N
MW388.29 g/mol
LogP5.85
Rot. Bonds3

About (2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol

(2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol (PubChem CID 143395972) has the molecular formula C21H19Cl2NO2 and a molecular weight of 388.29 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol
PubChem CID143395972
Molecular FormulaC21H19Cl2NO2
Molecular Weight388.29 g/mol
Exact Mass387.08
IUPAC Name(2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol
SMILESCC1CCc2nc(-c3ccc(C(O)c4cc(Cl)ccc4Cl)cc3)oc2C1
InChIInChI=1S/C21H19Cl2NO2/c1-12-2-9-18-19(10-12)26-21(24-18)14-5-3-13(4-6-14)20(25)16-11-15(22)7-8-17(16)23/h3-8,11-12,20,25H,2,9-10H2,1H3
InChIKeyHGZQSXSIPZEKEY-UHFFFAOYSA-N
XLogP5.85
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.29
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol with MolForge

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Related Compounds

[2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066542
2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066484
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanol
CID 61083366
1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol
CID 61082005
2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066532
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900549
(2,5-dichlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294050
2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 12575563
6-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299318
(2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65152971
(2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol
CID 101233917
(5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanol
CID 61100029

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol?
The IUPAC name of (2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol (CID 143395972) is (2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol.
What is the SMILES notation for (2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol?
The canonical SMILES for (2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol is CC1CCc2nc(-c3ccc(C(O)c4cc(Cl)ccc4Cl)cc3)oc2C1.
What is the InChIKey of (2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol?
The InChIKey is HGZQSXSIPZEKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO2/c1-12-2-9-18-19(10-12)26-21(24-18)14-5-3-13(4-6-14)20(25)16-11-15(22)7-8-17(16)23/h3-8,11-12,20,25H,2,9-10H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol?
(2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol has a molecular weight of 388.29 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[4-(6-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)phenyl]methanol is sourced from PubChem (CID 143395972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).