(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone

C18H20O2 — CID 63491128

IUPAC(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
SMILESCc1ccc(C(=O)c2cccc(OC(C)C)c2)cc1C
InChIInChI=1S/C18H20O2/c1-12(2)20-17-7-5-6-15(11-17)18(19)16-9-8-13(3)14(4)10-16/h5-12H,1-4H3
InChIKeyPFIQPTCZOSHEQH-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.32
Rot. Bonds4

About (3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone

(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 63491128) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID63491128
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
SMILESCc1ccc(C(=O)c2cccc(OC(C)C)c2)cc1C
InChIInChI=1S/C18H20O2/c1-12(2)20-17-7-5-6-15(11-17)18(19)16-9-8-13(3)14(4)10-16/h5-12H,1-4H3
InChIKeyPFIQPTCZOSHEQH-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 63492313
(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62797135
[3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299025
[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone
CID 67418850
(5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 79996537
2-[3-(4-methylbenzoyl)phenoxy]propanoic acid
CID 3057760
furan-2-yl-(3-propan-2-yloxyphenyl)methanone
CID 62919464
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794697
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanone
CID 114963628
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
1-methyl-4-(3-propan-2-yloxybenzoyl)pyrrole-2-carboxylic acid
CID 62921507
bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 159619159

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone (CID 63491128) is (3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone is Cc1ccc(C(=O)c2cccc(OC(C)C)c2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is PFIQPTCZOSHEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12(2)20-17-7-5-6-15(11-17)18(19)16-9-8-13(3)14(4)10-16/h5-12H,1-4H3.
What are the key properties of (3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone?
(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 268.36 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 63491128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).