(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one

C17H18O2 — CID 93090141

IUPAC(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
SMILESCC[C@H](C(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18O2/c1-3-16(13-9-11-15(19-2)12-10-13)17(18)14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3/t16-/m0/s1
InChIKeyDAAYJBQDRCKIAW-INIZCTEOSA-N
MW254.33 g/mol
LogP4.07
Rot. Bonds5

About (2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one

(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one (PubChem CID 93090141) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
PubChem CID93090141
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
SMILESCC[C@H](C(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18O2/c1-3-16(13-9-11-15(19-2)12-10-13)17(18)14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3/t16-/m0/s1
InChIKeyDAAYJBQDRCKIAW-INIZCTEOSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
1,2-bis(4-phenylmethoxyphenyl)butan-1-one
CID 70452916
4,4,5,5,6,6,7,7,7-nonafluoro-2-(4-methoxyphenyl)-1-phenylheptan-1-one
CID 165389854
(2S)-4,4,4-trifluoro-1-(4-methoxyphenyl)-2-phenylbutan-1-one
CID 129404550
(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione
CID 23661145
1-(2-bromo-4-methoxyphenyl)-2-phenylbutan-1-one
CID 60787106
1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one
CID 115812788
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one
CID 146009638
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one (CID 93090141) is (2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one is CC[C@H](C(=O)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one?
The InChIKey is DAAYJBQDRCKIAW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-16(13-9-11-15(19-2)12-10-13)17(18)14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one?
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one has a molecular weight of 254.33 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one is sourced from PubChem (CID 93090141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).