4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine

C18H20O3 — CID 173144157

IUPAC4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine
SMILESCCCCOc1ccccc1C1COOc2ccccc21
InChIInChI=1S/C18H20O3/c1-2-3-12-19-17-10-6-4-8-14(17)16-13-20-21-18-11-7-5-9-15(16)18/h4-11,16H,2-3,12-13H2,1H3
InChIKeyAVLMNDGFSKSKFE-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.32
Rot. Bonds5

About 4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine

4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine (PubChem CID 173144157) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine.

Molecular Properties

Compound Name4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine
PubChem CID173144157
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine
SMILESCCCCOc1ccccc1C1COOc2ccccc21
InChIInChI=1S/C18H20O3/c1-2-3-12-19-17-10-6-4-8-14(17)16-13-20-21-18-11-7-5-9-15(16)18/h4-11,16H,2-3,12-13H2,1H3
InChIKeyAVLMNDGFSKSKFE-UHFFFAOYSA-N
XLogP4.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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CID 90793601
N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine
CID 91335559
[(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 70681343
(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one
CID 27521012
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CID 157493993
(2-butoxyphenyl)-trimethylsilane
CID 123527400
N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine
CID 142440877
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
1-[(E)-2-bromoethenyl]-2-butoxybenzene
CID 165465465
9-(2-butoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
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CID 22016411

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine?
The IUPAC name of 4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine (CID 173144157) is 4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine.
What is the SMILES notation for 4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine?
The canonical SMILES for 4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine is CCCCOc1ccccc1C1COOc2ccccc21.
What is the InChIKey of 4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine?
The InChIKey is AVLMNDGFSKSKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-3-12-19-17-10-6-4-8-14(17)16-13-20-21-18-11-7-5-9-15(16)18/h4-11,16H,2-3,12-13H2,1H3.
What are the key properties of 4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine?
4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine has a molecular weight of 284.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine is sourced from PubChem (CID 173144157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).