ethane;1-methoxy-2-propan-2-ylbenzene

C12H20O — CID 142030907

IUPACethane;1-methoxy-2-propan-2-ylbenzene
SMILESCC.COc1ccccc1C(C)C
InChIInChI=1S/C10H14O.C2H6/c1-8(2)9-6-4-5-7-10(9)11-3;1-2/h4-8H,1-3H3;1-2H3
InChIKeyPZKWPLYZOCWKAB-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.84
Rot. Bonds2

About ethane;1-methoxy-2-propan-2-ylbenzene

ethane;1-methoxy-2-propan-2-ylbenzene (PubChem CID 142030907) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;1-methoxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-methoxy-2-propan-2-ylbenzene
PubChem CID142030907
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Nameethane;1-methoxy-2-propan-2-ylbenzene
SMILESCC.COc1ccccc1C(C)C
InChIInChI=1S/C10H14O.C2H6/c1-8(2)9-6-4-5-7-10(9)11-3;1-2/h4-8H,1-3H3;1-2H3
InChIKeyPZKWPLYZOCWKAB-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene
CID 172620672
ethane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene
CID 178128106
[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
CID 130462203
(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
1-(3-chlorobutan-2-yl)-2-methoxybenzene
CID 66470656
1-methoxy-2-[(1R)-1-propan-2-yloxyethyl]benzene
CID 10750337
1-(3-bromobutan-2-yl)-2-methoxybenzene
CID 66469864
2-methoxy-4-(2-propan-2-ylphenoxy)aniline
CID 55231972
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
2-methoxy-6-propan-2-ylbenzonitrile
CID 59589303

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-2-propan-2-ylbenzene?
The IUPAC name of ethane;1-methoxy-2-propan-2-ylbenzene (CID 142030907) is ethane;1-methoxy-2-propan-2-ylbenzene.
What is the SMILES notation for ethane;1-methoxy-2-propan-2-ylbenzene?
The canonical SMILES for ethane;1-methoxy-2-propan-2-ylbenzene is CC.COc1ccccc1C(C)C.
What is the InChIKey of ethane;1-methoxy-2-propan-2-ylbenzene?
The InChIKey is PZKWPLYZOCWKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C2H6/c1-8(2)9-6-4-5-7-10(9)11-3;1-2/h4-8H,1-3H3;1-2H3.
What are the key properties of ethane;1-methoxy-2-propan-2-ylbenzene?
ethane;1-methoxy-2-propan-2-ylbenzene has a molecular weight of 180.29 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-2-propan-2-ylbenzene is sourced from PubChem (CID 142030907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).