[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone

C19H22O3 — CID 67418850

IUPAC[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone
SMILESCC(C)Oc1cc(OC(C)C)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H22O3/c1-13(2)21-17-10-16(11-18(12-17)22-14(3)4)19(20)15-8-6-5-7-9-15/h5-14H,1-4H3
InChIKeyJEEZDNJHGFKEKP-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.49
Rot. Bonds6

About [3,5-di(propan-2-yloxy)phenyl]-phenylmethanone

[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone (PubChem CID 67418850) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is [3,5-di(propan-2-yloxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone
PubChem CID67418850
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone
SMILESCC(C)Oc1cc(OC(C)C)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H22O3/c1-13(2)21-17-10-16(11-18(12-17)22-14(3)4)19(20)15-8-6-5-7-9-15/h5-14H,1-4H3
InChIKeyJEEZDNJHGFKEKP-UHFFFAOYSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63491128
(3-benzoylphenyl) (2S)-2-aminopropanoate
CID 18635238
(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62797135
butane-2,3-diol;diphenylmethanone
CID 175235923
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649114
1-methyl-4-(3-propan-2-yloxybenzoyl)pyrrole-2-carboxylic acid
CID 62921507
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
(3-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 63492313
anthracene;diphenylmethanone
CID 87408663
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117

Frequently Asked Questions

What is the IUPAC name of [3,5-di(propan-2-yloxy)phenyl]-phenylmethanone?
The IUPAC name of [3,5-di(propan-2-yloxy)phenyl]-phenylmethanone (CID 67418850) is [3,5-di(propan-2-yloxy)phenyl]-phenylmethanone.
What is the SMILES notation for [3,5-di(propan-2-yloxy)phenyl]-phenylmethanone?
The canonical SMILES for [3,5-di(propan-2-yloxy)phenyl]-phenylmethanone is CC(C)Oc1cc(OC(C)C)cc(C(=O)c2ccccc2)c1.
What is the InChIKey of [3,5-di(propan-2-yloxy)phenyl]-phenylmethanone?
The InChIKey is JEEZDNJHGFKEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-13(2)21-17-10-16(11-18(12-17)22-14(3)4)19(20)15-8-6-5-7-9-15/h5-14H,1-4H3.
What are the key properties of [3,5-di(propan-2-yloxy)phenyl]-phenylmethanone?
[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone has a molecular weight of 298.38 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-di(propan-2-yloxy)phenyl]-phenylmethanone is sourced from PubChem (CID 67418850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).