4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol

C15H21NO2 — CID 71231657

IUPAC4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol
SMILESCc1ccc2c(c1)OCCN2C1CCC(O)CC1
InChIInChI=1S/C15H21NO2/c1-11-2-7-14-15(10-11)18-9-8-16(14)12-3-5-13(17)6-4-12/h2,7,10,12-13,17H,3-6,8-9H2,1H3
InChIKeyKQPQJMXAXHHBCX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.50
Rot. Bonds1

About 4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol

4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol (PubChem CID 71231657) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol
PubChem CID71231657
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol
SMILESCc1ccc2c(c1)OCCN2C1CCC(O)CC1
InChIInChI=1S/C15H21NO2/c1-11-2-7-14-15(10-11)18-9-8-16(14)12-3-5-13(17)6-4-12/h2,7,10,12-13,17H,3-6,8-9H2,1H3
InChIKeyKQPQJMXAXHHBCX-UHFFFAOYSA-N
XLogP2.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol?
The IUPAC name of 4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol (CID 71231657) is 4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol is Cc1ccc2c(c1)OCCN2C1CCC(O)CC1.
What is the InChIKey of 4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol?
The InChIKey is KQPQJMXAXHHBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-2-7-14-15(10-11)18-9-8-16(14)12-3-5-13(17)6-4-12/h2,7,10,12-13,17H,3-6,8-9H2,1H3.
What are the key properties of 4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol?
4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 71231657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).