(3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C16H13Cl2NO3 — CID 11624214

IUPAC(3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCc1cccc2c1OCCN2C(=O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C16H13Cl2NO3/c1-9-3-2-4-13-15(9)22-6-5-19(13)16(21)10-7-11(17)14(20)12(18)8-10/h2-4,7-8,20H,5-6H2,1H3
InChIKeyCTSKJVKSCNMSII-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.05
Rot. Bonds1

About (3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 11624214) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is (3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID11624214
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name(3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCc1cccc2c1OCCN2C(=O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C16H13Cl2NO3/c1-9-3-2-4-13-15(9)22-6-5-19(13)16(21)10-7-11(17)14(20)12(18)8-10/h2-4,7-8,20H,5-6H2,1H3
InChIKeyCTSKJVKSCNMSII-UHFFFAOYSA-N
XLogP4.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone 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

(3,5-dichloro-4-hydroxyphenyl)-(7-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 11631472
(3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 11624297
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 43062745
methyl 4-(3,5-dichloro-4-hydroxybenzoyl)-2,3-dihydro-1,4-benzoxazine-7-carboxylate
CID 11653821
(3,5-dichloro-4-hydroxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone;6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 159195894
4-(3,5-dichloro-4-hydroxybenzoyl)-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 11575601
(3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 11702809
(3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone;6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 159894981
5-(3,5-dichloro-4-hydroxybenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 11703054
[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-(3,5-dichloro-4-hydroxyphenyl)methanone;(3,5-dichloro-4-hydroxyphenyl)-[6-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 69234841
(3,5-dichloro-4-hydroxyphenyl)-phenoxazin-10-ylmethanone
CID 11581527
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 8891490

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 11624214) is (3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is Cc1cccc2c1OCCN2C(=O)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of (3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is CTSKJVKSCNMSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-9-3-2-4-13-15(9)22-6-5-19(13)16(21)10-7-11(17)14(20)12(18)8-10/h2-4,7-8,20H,5-6H2,1H3.
What are the key properties of (3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 338.19 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-hydroxyphenyl)-(8-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 11624214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).