(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride

C17H19ClO — CID 23128537

IUPAC(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
SMILESCCC(C)c1ccccc1C(=O)c1ccccc1.Cl
InChIInChI=1S/C17H18O.ClH/c1-3-13(2)15-11-7-8-12-16(15)17(18)14-9-5-4-6-10-14;/h4-13H,3H2,1-2H3;1H
InChIKeyBPSUQIBQTREKKA-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.85
Rot. Bonds4

About (2-butan-2-ylphenyl)-phenylmethanone;hydrochloride

(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride (PubChem CID 23128537) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is (2-butan-2-ylphenyl)-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
PubChem CID23128537
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
SMILESCCC(C)c1ccccc1C(=O)c1ccccc1.Cl
InChIInChI=1S/C17H18O.ClH/c1-3-13(2)15-11-7-8-12-16(15)17(18)14-9-5-4-6-10-14;/h4-13H,3H2,1-2H3;1H
InChIKeyBPSUQIBQTREKKA-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2,3-di(butan-2-yl)phenyl]-phenylmethanone
CID 67337548
3-(2-benzoylphenyl)butan-2-one
CID 69061840
(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
CID 123852812
1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
CID 175289808
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
(2-nonan-4-ylphenyl)-phenylmethanone
CID 54511244
phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone
CID 170818848
[2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone
CID 19975082
ethyl 4-(2-benzoylphenyl)-3,4-dihydroxybutanoate
CID 171898395
(2-methyl-3-phenylbutan-2-yl) 2-butan-2-ylbenzoate
CID 118040109
benzoyl chloride;butan-2-ylbenzene;(4-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 157456534
4-(2-benzoylphenyl)-3,4-dihydroxybutanoic acid
CID 171878688

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-ylphenyl)-phenylmethanone;hydrochloride?
The IUPAC name of (2-butan-2-ylphenyl)-phenylmethanone;hydrochloride (CID 23128537) is (2-butan-2-ylphenyl)-phenylmethanone;hydrochloride.
What is the SMILES notation for (2-butan-2-ylphenyl)-phenylmethanone;hydrochloride?
The canonical SMILES for (2-butan-2-ylphenyl)-phenylmethanone;hydrochloride is CCC(C)c1ccccc1C(=O)c1ccccc1.Cl.
What is the InChIKey of (2-butan-2-ylphenyl)-phenylmethanone;hydrochloride?
The InChIKey is BPSUQIBQTREKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O.ClH/c1-3-13(2)15-11-7-8-12-16(15)17(18)14-9-5-4-6-10-14;/h4-13H,3H2,1-2H3;1H.
What are the key properties of (2-butan-2-ylphenyl)-phenylmethanone;hydrochloride?
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-ylphenyl)-phenylmethanone;hydrochloride is sourced from PubChem (CID 23128537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).