butane;(4-hydroxyphenyl)-phenylmethanone

C17H20O2 — CID 70634619

IUPACbutane;(4-hydroxyphenyl)-phenylmethanone
SMILESCCCC.O=C(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C13H10O2.C4H10/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-3-4-2/h1-9,14H;3-4H2,1-2H3
InChIKeyLUKSUJAEVMOHIX-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.43
Rot. Bonds3

About butane;(4-hydroxyphenyl)-phenylmethanone

butane;(4-hydroxyphenyl)-phenylmethanone (PubChem CID 70634619) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is butane;(4-hydroxyphenyl)-phenylmethanone.

Molecular Properties

Compound Namebutane;(4-hydroxyphenyl)-phenylmethanone
PubChem CID70634619
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Namebutane;(4-hydroxyphenyl)-phenylmethanone
SMILESCCCC.O=C(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C13H10O2.C4H10/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-3-4-2/h1-9,14H;3-4H2,1-2H3
InChIKeyLUKSUJAEVMOHIX-UHFFFAOYSA-N
XLogP4.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxyphenyl)-phenylmethanone
CID 139062648
butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium
CID 59487979
diphenylmethanone;propan-1-amine
CID 174497329
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 118078754
butane;1-(4-hydroxyphenyl)ethanone
CID 142352310
(4-butylphenyl)-(4-hydroxyphenyl)methanone
CID 22132679
diphenylmethanone;propanal
CID 159329764
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779

Frequently Asked Questions

What is the IUPAC name of butane;(4-hydroxyphenyl)-phenylmethanone?
The IUPAC name of butane;(4-hydroxyphenyl)-phenylmethanone (CID 70634619) is butane;(4-hydroxyphenyl)-phenylmethanone.
What is the SMILES notation for butane;(4-hydroxyphenyl)-phenylmethanone?
The canonical SMILES for butane;(4-hydroxyphenyl)-phenylmethanone is CCCC.O=C(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of butane;(4-hydroxyphenyl)-phenylmethanone?
The InChIKey is LUKSUJAEVMOHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2.C4H10/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-3-4-2/h1-9,14H;3-4H2,1-2H3.
What are the key properties of butane;(4-hydroxyphenyl)-phenylmethanone?
butane;(4-hydroxyphenyl)-phenylmethanone has a molecular weight of 256.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(4-hydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 70634619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).