1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene

C23H34O2 — CID 163393243

IUPAC1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
SMILESCC(C)COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20O.C10H14O/c1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-8(2)9-4-6-10(11-3)7-5-9/h5-8,10-11H,9H2,1-4H3;4-8H,1-3H3
InChIKeyAPCLMPBIHBCBJQ-UHFFFAOYSA-N
MW342.52 g/mol
LogP6.66
Rot. Bonds6

About 1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene

1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene (PubChem CID 163393243) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is 1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
PubChem CID163393243
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Name1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
SMILESCC(C)COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20O.C10H14O/c1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-8(2)9-4-6-10(11-3)7-5-9/h5-8,10-11H,9H2,1-4H3;4-8H,1-3H3
InChIKeyAPCLMPBIHBCBJQ-UHFFFAOYSA-N
XLogP6.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
(2S)-1-(4-methoxyphenoxy)propan-2-amine
CID 7263362
4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 34884368
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
methyl 2-[4-(2-methylpropoxy)phenyl]propanoate
CID 135079153
1-(fluoromethoxy)-4-propan-2-ylbenzene
CID 90078626
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
2-(4-methoxyphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 4940606

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene?
The IUPAC name of 1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene (CID 163393243) is 1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene?
The canonical SMILES for 1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene is CC(C)COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.
What is the InChIKey of 1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene?
The InChIKey is APCLMPBIHBCBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.C10H14O/c1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-8(2)9-4-6-10(11-3)7-5-9/h5-8,10-11H,9H2,1-4H3;4-8H,1-3H3.
What are the key properties of 1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene?
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene has a molecular weight of 342.52 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene is sourced from PubChem (CID 163393243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).