1,3-di(propan-2-yl)-2-propoxybenzene

C15H24O — CID 59277560

IUPAC1,3-di(propan-2-yl)-2-propoxybenzene
SMILESCCCOc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C15H24O/c1-6-10-16-15-13(11(2)3)8-7-9-14(15)12(4)5/h7-9,11-12H,6,10H2,1-5H3
InChIKeyKUMGCWKWNXWOOC-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.72
Rot. Bonds5

About 1,3-di(propan-2-yl)-2-propoxybenzene

1,3-di(propan-2-yl)-2-propoxybenzene (PubChem CID 59277560) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-2-propoxybenzene.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-2-propoxybenzene
PubChem CID59277560
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1,3-di(propan-2-yl)-2-propoxybenzene
SMILESCCCOc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C15H24O/c1-6-10-16-15-13(11(2)3)8-7-9-14(15)12(4)5/h7-9,11-12H,6,10H2,1-5H3
InChIKeyKUMGCWKWNXWOOC-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-di(propan-2-yl)-2-propoxybenzene 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

2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
4-[2,6-di(propan-2-yl)phenoxy]butyl-diethylazanium
CID 2250093
1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine
CID 155456372
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine
CID 2182838
butane;1-propan-2-ylnaphthalene
CID 157253186
1-[2,6-di(propan-2-yl)phenoxy]butan-2-one
CID 62039580
1,3-dimethyl-2-propoxybenzene
CID 579040
N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine
CID 20679121
2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene
CID 134985935
1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane
CID 67998176

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-2-propoxybenzene?
The IUPAC name of 1,3-di(propan-2-yl)-2-propoxybenzene (CID 59277560) is 1,3-di(propan-2-yl)-2-propoxybenzene.
What is the SMILES notation for 1,3-di(propan-2-yl)-2-propoxybenzene?
The canonical SMILES for 1,3-di(propan-2-yl)-2-propoxybenzene is CCCOc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 1,3-di(propan-2-yl)-2-propoxybenzene?
The InChIKey is KUMGCWKWNXWOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-6-10-16-15-13(11(2)3)8-7-9-14(15)12(4)5/h7-9,11-12H,6,10H2,1-5H3.
What are the key properties of 1,3-di(propan-2-yl)-2-propoxybenzene?
1,3-di(propan-2-yl)-2-propoxybenzene has a molecular weight of 220.36 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-2-propoxybenzene is sourced from PubChem (CID 59277560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).