2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol

C15H21ClO3 — CID 117458635

IUPAC2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
SMILESCC(C)c1c(C(C)(C)CO)cc2c(c1Cl)OCCO2
InChIInChI=1S/C15H21ClO3/c1-9(2)12-10(15(3,4)8-17)7-11-14(13(12)16)19-6-5-18-11/h7,9,17H,5-6,8H2,1-4H3
InChIKeyPSJRHJJKJJRLRN-UHFFFAOYSA-N
MW284.78 g/mol
LogP3.50
Rot. Bonds3

About 2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol

2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol (PubChem CID 117458635) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is 2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
PubChem CID117458635
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Name2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
SMILESCC(C)c1c(C(C)(C)CO)cc2c(c1Cl)OCCO2
InChIInChI=1S/C15H21ClO3/c1-9(2)12-10(15(3,4)8-17)7-11-14(13(12)16)19-6-5-18-11/h7,9,17H,5-6,8H2,1-4H3
InChIKeyPSJRHJJKJJRLRN-UHFFFAOYSA-N
XLogP3.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 84692201
2-(7-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117429999
2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117485122
2-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117490435
2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol
CID 117349268
1-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopropan-1-amine
CID 117422951
2-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117392753
3-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutanoic acid
CID 117466358
[1-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclobutyl]methanamine
CID 117476581
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylpropan-1-ol
CID 117395289
6-chloro-5-(1-hydroxypropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117363752
2-(4-chloro-1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 117329555

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol (CID 117458635) is 2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol is CC(C)c1c(C(C)(C)CO)cc2c(c1Cl)OCCO2.
What is the InChIKey of 2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol?
The InChIKey is PSJRHJJKJJRLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-9(2)12-10(15(3,4)8-17)7-11-14(13(12)16)19-6-5-18-11/h7,9,17H,5-6,8H2,1-4H3.
What are the key properties of 2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol?
2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol has a molecular weight of 284.78 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 117458635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).