1-methyl-4-propan-2-yl-2-propoxybenzene

C13H20O — CID 78907679

IUPAC1-methyl-4-propan-2-yl-2-propoxybenzene
SMILESCCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C13H20O/c1-5-8-14-13-9-12(10(2)3)7-6-11(13)4/h6-7,9-10H,5,8H2,1-4H3
InChIKeyVWEFEJDDFCTQKO-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.91
Rot. Bonds4

About 1-methyl-4-propan-2-yl-2-propoxybenzene

1-methyl-4-propan-2-yl-2-propoxybenzene (PubChem CID 78907679) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-2-propoxybenzene.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-2-propoxybenzene
PubChem CID78907679
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-methyl-4-propan-2-yl-2-propoxybenzene
SMILESCCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C13H20O/c1-5-8-14-13-9-12(10(2)3)7-6-11(13)4/h6-7,9-10H,5,8H2,1-4H3
InChIKeyVWEFEJDDFCTQKO-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81005195
2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991
2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283913
N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine
CID 2276631
5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
CID 63497734
2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene
CID 2285673
1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine
CID 67918317

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yl-2-propoxybenzene?
The IUPAC name of 1-methyl-4-propan-2-yl-2-propoxybenzene (CID 78907679) is 1-methyl-4-propan-2-yl-2-propoxybenzene.
What is the SMILES notation for 1-methyl-4-propan-2-yl-2-propoxybenzene?
The canonical SMILES for 1-methyl-4-propan-2-yl-2-propoxybenzene is CCCOc1cc(C(C)C)ccc1C.
What is the InChIKey of 1-methyl-4-propan-2-yl-2-propoxybenzene?
The InChIKey is VWEFEJDDFCTQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-8-14-13-9-12(10(2)3)7-6-11(13)4/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 1-methyl-4-propan-2-yl-2-propoxybenzene?
1-methyl-4-propan-2-yl-2-propoxybenzene has a molecular weight of 192.30 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-2-propoxybenzene is sourced from PubChem (CID 78907679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).