4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol

C16H14ClNO2 — CID 135760691

IUPAC4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol
SMILESCC(C)c1ccc2oc(-c3cc(Cl)ccc3O)nc2c1
InChIInChI=1S/C16H14ClNO2/c1-9(2)10-3-6-15-13(7-10)18-16(20-15)12-8-11(17)4-5-14(12)19/h3-9,19H,1-2H3
InChIKeyXUCWVRBDXJQGOE-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.98
Rot. Bonds2

About 4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol

4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol (PubChem CID 135760691) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol
PubChem CID135760691
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol
SMILESCC(C)c1ccc2oc(-c3cc(Cl)ccc3O)nc2c1
InChIInChI=1S/C16H14ClNO2/c1-9(2)10-3-6-15-13(7-10)18-16(20-15)12-8-11(17)4-5-14(12)19/h3-9,19H,1-2H3
InChIKeyXUCWVRBDXJQGOE-UHFFFAOYSA-N
XLogP4.98
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 135775908
4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol
CID 135511528
2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23766476
2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-benzoxazole
CID 95910359
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
4-chloro-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4285115
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole
CID 91678654
2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 23991548
5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17318735
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide
CID 1362861
2,4-dichloro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127512
2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 17273976

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol (CID 135760691) is 4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol is CC(C)c1ccc2oc(-c3cc(Cl)ccc3O)nc2c1.
What is the InChIKey of 4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol?
The InChIKey is XUCWVRBDXJQGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-9(2)10-3-6-15-13(7-10)18-16(20-15)12-8-11(17)4-5-14(12)19/h3-9,19H,1-2H3.
What are the key properties of 4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol?
4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol has a molecular weight of 287.75 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 135760691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).