(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

C19H22O2 — CID 43159799

IUPAC(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCOc1cccc(C(=O)c2c(C)c(C)c(C)c(C)c2C)c1
InChIInChI=1S/C19H22O2/c1-11-12(2)14(4)18(15(5)13(11)3)19(20)16-8-7-9-17(10-16)21-6/h7-10H,1-6H3
InChIKeyFKDOLZRBNDGSGT-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.47
Rot. Bonds3

About (3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (PubChem CID 43159799) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
PubChem CID43159799
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCOc1cccc(C(=O)c2c(C)c(C)c(C)c(C)c2C)c1
InChIInChI=1S/C19H22O2/c1-11-12(2)14(4)18(15(5)13(11)3)19(20)16-8-7-9-17(10-16)21-6/h7-10H,1-6H3
InChIKeyFKDOLZRBNDGSGT-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3-methoxyphenyl)-2-oxoacetamide
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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The IUPAC name of (3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (CID 43159799) is (3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is COc1cccc(C(=O)c2c(C)c(C)c(C)c(C)c2C)c1.
What is the InChIKey of (3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The InChIKey is FKDOLZRBNDGSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-11-12(2)14(4)18(15(5)13(11)3)19(20)16-8-7-9-17(10-16)21-6/h7-10H,1-6H3.
What are the key properties of (3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone has a molecular weight of 282.38 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is sourced from PubChem (CID 43159799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).