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

C16H15NO2 — CID 146169064

IUPAC(1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1[C@@H](O)Cc1nc2ccccc2o1
InChIInChI=1S/C16H15NO2/c1-11-6-2-3-7-12(11)14(18)10-16-17-13-8-4-5-9-15(13)19-16/h2-9,14,18H,10H2,1H3/t14-/m0/s1
InChIKeyPMQJZHWAUKCHAK-AWEZNQCLSA-N
MW253.30 g/mol
LogP3.41
Rot. Bonds3

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

(1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol (PubChem CID 146169064) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol
PubChem CID146169064
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1[C@@H](O)Cc1nc2ccccc2o1
InChIInChI=1S/C16H15NO2/c1-11-6-2-3-7-12(11)14(18)10-16-17-13-8-4-5-9-15(13)19-16/h2-9,14,18H,10H2,1H3/t14-/m0/s1
InChIKeyPMQJZHWAUKCHAK-AWEZNQCLSA-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

Analyze (1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzoxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanol
CID 66461865
2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol
CID 66460868
2-(1,3-benzoxazol-2-yl)-1-(2-bromo-5-methoxyphenyl)ethanol
CID 66460264
2-[2-chloro-2-(2,5-dimethylphenyl)ethyl]-1,3-benzoxazole
CID 66461340
2-[2-chloro-2-(5-fluoro-2-methylphenyl)ethyl]-1,3-benzoxazole
CID 66459737
1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
CID 142930322
2-(3-methylbutyl)-1,3-benzoxazole;2-(2-methylpropyl)-1,3-benzoxazole
CID 177208287
2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane
CID 142549567
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
2-[2-bromo-2-(2-bromophenyl)ethyl]-1,3-benzoxazole
CID 66461626
2-[2-bromo-2-(2,4,6-trimethylphenyl)ethyl]-1,3-benzoxazole
CID 66461842
2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107003662

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol?
The IUPAC name of (1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol (CID 146169064) is (1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol.
What is the SMILES notation for (1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol?
The canonical SMILES for (1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol is Cc1ccccc1[C@@H](O)Cc1nc2ccccc2o1.
What is the InChIKey of (1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol?
The InChIKey is PMQJZHWAUKCHAK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-6-2-3-7-12(11)14(18)10-16-17-13-8-4-5-9-15(13)19-16/h2-9,14,18H,10H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol?
(1S)-2-(1,3-benzoxazol-2-yl)-1-(2-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 (1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 146169064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).