(4-butylphenyl)-(4-hydroxyphenyl)methanone

C17H18O2 — CID 22132679

IUPAC(4-butylphenyl)-(4-hydroxyphenyl)methanone
SMILESCCCCc1ccc(C(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H18O2/c1-2-3-4-13-5-7-14(8-6-13)17(19)15-9-11-16(18)12-10-15/h5-12,18H,2-4H2,1H3
InChIKeyWMUHOIWKGHUGAR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.97
Rot. Bonds5

About (4-butylphenyl)-(4-hydroxyphenyl)methanone

(4-butylphenyl)-(4-hydroxyphenyl)methanone (PubChem CID 22132679) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (4-butylphenyl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-butylphenyl)-(4-hydroxyphenyl)methanone
PubChem CID22132679
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(4-butylphenyl)-(4-hydroxyphenyl)methanone
SMILESCCCCc1ccc(C(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H18O2/c1-2-3-4-13-5-7-14(8-6-13)17(19)15-9-11-16(18)12-10-15/h5-12,18H,2-4H2,1H3
InChIKeyWMUHOIWKGHUGAR-UHFFFAOYSA-N
XLogP3.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butylphenol;tungsten
CID 174758928
4-butylphenol;propanoic acid
CID 70308169
1-(4-hydroxyphenyl)ethanone;4-pentylphenol
CID 70426923
lithium;4-butylphenol;hydride
CID 174758234
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
4-butylbenzoic acid;zinc
CID 175174767
4-butylphenol;3,5-dibutylphenol
CID 159891553
CID 69445910
CID 69445910
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
(4-butylphenyl)-(2,6-dichlorophenyl)methanone
CID 43160097

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (4-butylphenyl)-(4-hydroxyphenyl)methanone (CID 22132679) is (4-butylphenyl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (4-butylphenyl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (4-butylphenyl)-(4-hydroxyphenyl)methanone is CCCCc1ccc(C(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of (4-butylphenyl)-(4-hydroxyphenyl)methanone?
The InChIKey is WMUHOIWKGHUGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-2-3-4-13-5-7-14(8-6-13)17(19)15-9-11-16(18)12-10-15/h5-12,18H,2-4H2,1H3.
What are the key properties of (4-butylphenyl)-(4-hydroxyphenyl)methanone?
(4-butylphenyl)-(4-hydroxyphenyl)methanone has a molecular weight of 254.33 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 22132679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).