1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene

C17H28O3 — CID 135280827

IUPAC1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene
SMILESCCOc1cc(CC(C)C)cc(OCC)c1OC(C)C
InChIInChI=1S/C17H28O3/c1-7-18-15-10-14(9-12(3)4)11-16(19-8-2)17(15)20-13(5)6/h10-13H,7-9H2,1-6H3
InChIKeyQWGUGPWJZXVPFB-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.47
Rot. Bonds8

About 1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene

1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene (PubChem CID 135280827) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene
PubChem CID135280827
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene
SMILESCCOc1cc(CC(C)C)cc(OCC)c1OC(C)C
InChIInChI=1S/C17H28O3/c1-7-18-15-10-14(9-12(3)4)11-16(19-8-2)17(15)20-13(5)6/h10-13H,7-9H2,1-6H3
InChIKeyQWGUGPWJZXVPFB-UHFFFAOYSA-N
XLogP4.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(2-methylpropyl)-5-propan-2-yloxybenzene
CID 70932281
1,2,3-triethoxy-5-ethylbenzene
CID 91457664
1-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)propan-1-ol
CID 83952654
(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)boronic acid
CID 56776635
3-bromo-5-ethoxy-4-propan-2-yloxybenzoic acid
CID 8706851
3-ethoxy-5-iodo-2-propan-2-yloxybenzoic acid
CID 100583810
[3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol
CID 164894455
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43278204
(2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
CID 168530765
1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene
CID 114013775
1-(3-bromo-5-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 60906355
3-ethoxy-5-nitro-2-propan-2-yloxybenzaldehyde
CID 100582251

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene?
The IUPAC name of 1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene (CID 135280827) is 1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene.
What is the SMILES notation for 1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene?
The canonical SMILES for 1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene is CCOc1cc(CC(C)C)cc(OCC)c1OC(C)C.
What is the InChIKey of 1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene?
The InChIKey is QWGUGPWJZXVPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-7-18-15-10-14(9-12(3)4)11-16(19-8-2)17(15)20-13(5)6/h10-13H,7-9H2,1-6H3.
What are the key properties of 1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene?
1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene has a molecular weight of 280.41 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene is sourced from PubChem (CID 135280827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).