ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one

C16H26O2 — CID 142534707

IUPACethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one
SMILESCC.CCC(=O)Cc1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H20O2.C2H6/c1-4-13(15)9-12-5-7-14(8-6-12)16-10-11(2)3;1-2/h5-8,11H,4,9-10H2,1-3H3;1-2H3
InChIKeyRHMMKMFTRBVUBP-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.27
Rot. Bonds6

About ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one

ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one (PubChem CID 142534707) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one.

Molecular Properties

Compound Nameethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one
PubChem CID142534707
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Nameethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one
SMILESCC.CCC(=O)Cc1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H20O2.C2H6/c1-4-13(15)9-12-5-7-14(8-6-12)16-10-11(2)3;1-2/h5-8,11H,4,9-10H2,1-3H3;1-2H3
InChIKeyRHMMKMFTRBVUBP-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549
1-[4-(2-hydroxybutoxy)phenyl]-3-[4-(2-methylbutoxy)phenyl]propan-2-one
CID 170386830
1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one
CID 167241747
N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119496509
N-(1-amino-2-methylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119522663
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111484329
N-(1-amino-2-methylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119522662
4-[4-(2-methylpropoxy)phenyl]butanoic acid
CID 82050407
N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119439493
1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene
CID 144625021
2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid
CID 119213176

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one?
The IUPAC name of ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one (CID 142534707) is ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one.
What is the SMILES notation for ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one?
The canonical SMILES for ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one is CC.CCC(=O)Cc1ccc(OCC(C)C)cc1.
What is the InChIKey of ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one?
The InChIKey is RHMMKMFTRBVUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.C2H6/c1-4-13(15)9-12-5-7-14(8-6-12)16-10-11(2)3;1-2/h5-8,11H,4,9-10H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one?
ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one has a molecular weight of 250.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one is sourced from PubChem (CID 142534707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).