(4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone

C18H18O3 — CID 114518942

IUPAC(4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC3CC3)cc2)cc1C
InChIInChI=1S/C18H18O3/c1-12-11-14(5-10-17(12)20-2)18(19)13-3-6-15(7-4-13)21-16-8-9-16/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyVNGFZYAVPPTLAV-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.78
Rot. Bonds5

About (4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone

(4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 114518942) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID114518942
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC3CC3)cc2)cc1C
InChIInChI=1S/C18H18O3/c1-12-11-14(5-10-17(12)20-2)18(19)13-3-6-15(7-4-13)21-16-8-9-16/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyVNGFZYAVPPTLAV-UHFFFAOYSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812872
(4-hydroxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 70142361
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 79214841
(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone
CID 59022177
(2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 107469288
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
(4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone
CID 43463880
(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917590
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone (CID 114518942) is (4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)c2ccc(OC3CC3)cc2)cc1C.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is VNGFZYAVPPTLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-12-11-14(5-10-17(12)20-2)18(19)13-3-6-15(7-4-13)21-16-8-9-16/h3-7,10-11,16H,8-9H2,1-2H3.
What are the key properties of (4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone?
(4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 282.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 114518942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).