4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol

C12H11NO2 — CID 16641470

IUPAC4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol
SMILESOCc1noc2c1CCc1ccccc1-2
InChIInChI=1S/C12H11NO2/c14-7-11-10-6-5-8-3-1-2-4-9(8)12(10)15-13-11/h1-4,14H,5-7H2
InChIKeyTVXPCUIEXRKWRI-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.93
Rot. Bonds1

About 4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol

4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol (PubChem CID 16641470) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol.

Molecular Properties

Compound Name4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol
PubChem CID16641470
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol
SMILESOCc1noc2c1CCc1ccccc1-2
InChIInChI=1S/C12H11NO2/c14-7-11-10-6-5-8-3-1-2-4-9(8)12(10)15-13-11/h1-4,14H,5-7H2
InChIKeyTVXPCUIEXRKWRI-UHFFFAOYSA-N
XLogP1.93
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol 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

(5-Phenyl-1,2-oxazol-3-yl)methanol
CID 1481082
(3-Methyl-5-phenyl-isoxazol-4-yl)-methanol
CID 2776519
(5-(4-Methylphenyl)-3-isoxazolyl)methanol
CID 23006256
(NZ)-N-(3-ethyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
CID 5895218
3-Butyl-6-phenyl-6,7-dihydro-5H-benzo[d]isoxazol-4-one oxime
CID 6285086
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-isoxazole-3-carboxylic acid
CID 10543210
5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-isoxazole-3-carboxylic acid
CID 10709275
3-Phenyl-4,5,6,7-tetrahydro-2,1-benzisoxazole
CID 280877
5-(2-Methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 23006222
6-Phenyl-3-propyl-6,7-dihydro-5H-benzo[d]isoxazol-4-one oxime
CID 6059475
1-[3-(3,5-Dimethyl-1,2-oxazol-4-yl)phenyl]ethanol
CID 54757750
3-(4-Hydroxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazol-7-ol
CID 136499035

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol?
The IUPAC name of 4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol (CID 16641470) is 4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol.
What is the SMILES notation for 4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol?
The canonical SMILES for 4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol is OCc1noc2c1CCc1ccccc1-2.
What is the InChIKey of 4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol?
The InChIKey is TVXPCUIEXRKWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-7-11-10-6-5-8-3-1-2-4-9(8)12(10)15-13-11/h1-4,14H,5-7H2.
What are the key properties of 4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol?
4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol has a molecular weight of 201.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol is sourced from PubChem (CID 16641470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).