(5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

C16H13ClO4 — CID 65351116

IUPAC(5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1COc2ccccc2O1
InChIInChI=1S/C16H13ClO4/c1-19-12-7-6-10(17)8-11(12)16(18)15-9-20-13-4-2-3-5-14(13)21-15/h2-8,15H,9H2,1H3
InChIKeyBQBZHXYMUHQEOR-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.37
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

(5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone (PubChem CID 65351116) has the molecular formula C16H13ClO4 and a molecular weight of 304.73 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
PubChem CID65351116
Molecular FormulaC16H13ClO4
Molecular Weight304.73 g/mol
Exact Mass304.05
IUPAC Name(5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1COc2ccccc2O1
InChIInChI=1S/C16H13ClO4/c1-19-12-7-6-10(17)8-11(12)16(18)15-9-20-13-4-2-3-5-14(13)21-15/h2-8,15H,9H2,1H3
InChIKeyBQBZHXYMUHQEOR-UHFFFAOYSA-N
XLogP3.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 65351066
(2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 107475799
(2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 43344746
(3S)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7860754
4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide
CID 86284070
2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone
CID 65351114
(3S)-N-(3,4-dimethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94798691
(3R)-N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 846491
5-[[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 125149392
methyl 5-chloro-4-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-methoxybenzoate
CID 2789120
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]propanamide
CID 32712835
2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone
CID 43338806

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone (CID 65351116) is (5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone is COc1ccc(Cl)cc1C(=O)C1COc2ccccc2O1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The InChIKey is BQBZHXYMUHQEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO4/c1-19-12-7-6-10(17)8-11(12)16(18)15-9-20-13-4-2-3-5-14(13)21-15/h2-8,15H,9H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
(5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone has a molecular weight of 304.73 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone is sourced from PubChem (CID 65351116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).