2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol

C16H15NO2 — CID 66460868

IUPAC2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)Cc2nc3ccccc3o2)c1
InChIInChI=1S/C16H15NO2/c1-11-5-4-6-12(9-11)14(18)10-16-17-13-7-2-3-8-15(13)19-16/h2-9,14,18H,10H2,1H3
InChIKeyFFVUJQYWCMTIPS-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.41
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol

2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol (PubChem CID 66460868) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol
PubChem CID66460868
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)Cc2nc3ccccc3o2)c1
InChIInChI=1S/C16H15NO2/c1-11-5-4-6-12(9-11)14(18)10-16-17-13-7-2-3-8-15(13)19-16/h2-9,14,18H,10H2,1H3
InChIKeyFFVUJQYWCMTIPS-UHFFFAOYSA-N
XLogP3.41
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-2-(3-methylphenyl)ethyl]-1,3-benzoxazole
CID 66459118
(1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol
CID 146169064
1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol
CID 66461659
2-[2-chloro-2-(3,5-dimethylphenyl)ethyl]-1,3-benzoxazole
CID 66460334
2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol
CID 66461865
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane
CID 142549567
2-[2-chloro-2-(2,5-dimethylphenyl)ethyl]-1,3-benzoxazole
CID 66461340
2-(2-bromo-2-phenylethyl)-1,3-benzoxazole
CID 66458807
2-[2-bromo-2-(2,4,6-trimethylphenyl)ethyl]-1,3-benzoxazole
CID 66461842
2-[2-bromo-2-(3-bromophenyl)ethyl]-1,3-benzoxazole
CID 66459827
2-(1,3-benzoxazol-2-yl)-1-(2-bromo-5-methoxyphenyl)ethanol
CID 66460264

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol (CID 66460868) is 2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)Cc2nc3ccccc3o2)c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol?
The InChIKey is FFVUJQYWCMTIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-5-4-6-12(9-11)14(18)10-16-17-13-7-2-3-8-15(13)19-16/h2-9,14,18H,10H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol?
2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol has a molecular weight of 253.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 66460868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).