(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone

C18H20O2 — CID 786610

IUPAC(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C18H20O2/c1-13(2)12-20-17-10-8-16(9-11-17)18(19)15-6-4-14(3)5-7-15/h4-11,13H,12H2,1-3H3
InChIKeyCIWWZWBBRNQFOD-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.26
Rot. Bonds5

About (4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone

(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone (PubChem CID 786610) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
PubChem CID786610
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C18H20O2/c1-13(2)12-20-17-10-8-16(9-11-17)18(19)15-6-4-14(3)5-7-15/h4-11,13H,12H2,1-3H3
InChIKeyCIWWZWBBRNQFOD-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
[4-(2-methylpropoxy)benzoyl]phosphonic acid
CID 170613482
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone
CID 141021495
2-methyl-N-[2-(methylamino)-2-oxoethyl]-3-[4-(4-methylbenzoyl)phenoxy]propanamide
CID 144556761
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092512
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
4-methyl-2-[(4-methylphenoxy)methyl]pentanoic acid
CID 117242212
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone?
The IUPAC name of (4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone (CID 786610) is (4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone is Cc1ccc(C(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone?
The InChIKey is CIWWZWBBRNQFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13(2)12-20-17-10-8-16(9-11-17)18(19)15-6-4-14(3)5-7-15/h4-11,13H,12H2,1-3H3.
What are the key properties of (4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone?
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone has a molecular weight of 268.36 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone is sourced from PubChem (CID 786610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).