1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone

C19H22O2 — CID 43337811

IUPAC1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCCC(C)c1ccc(C(=O)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C19H22O2/c1-4-14(2)16-8-10-17(11-9-16)19(20)13-15-6-5-7-18(12-15)21-3/h5-12,14H,4,13H2,1-3H3
InChIKeyHAYVBTRPVNBSQG-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.63
Rot. Bonds6

About 1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone

1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone (PubChem CID 43337811) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone
PubChem CID43337811
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCCC(C)c1ccc(C(=O)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C19H22O2/c1-4-14(2)16-8-10-17(11-9-16)19(20)13-15-6-5-7-18(12-15)21-3/h5-12,14H,4,13H2,1-3H3
InChIKeyHAYVBTRPVNBSQG-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-2-(4-butan-2-ylphenyl)ethyl]-3-methoxybenzene
CID 63438806
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 43379572
2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821159
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
2-(3-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 43338181
1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene
CID 155096208
2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 79217516
N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114307701
2-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 25494188
2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide
CID 97086495
3-[4-[(2R)-butan-2-yl]anilino]-1-(4-methoxyphenyl)propan-1-one
CID 41098265
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone (CID 43337811) is 1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone is CCC(C)c1ccc(C(=O)Cc2cccc(OC)c2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is HAYVBTRPVNBSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-4-14(2)16-8-10-17(11-9-16)19(20)13-15-6-5-7-18(12-15)21-3/h5-12,14H,4,13H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone?
1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone has a molecular weight of 282.38 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 43337811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).