bis(2-cyclopropyl-3-methoxyphenyl)methanone

C21H22O3 — CID 73011768

IUPACbis(2-cyclopropyl-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cccc(OC)c2C2CC2)c1C1CC1
InChIInChI=1S/C21H22O3/c1-23-17-7-3-5-15(19(17)13-9-10-13)21(22)16-6-4-8-18(24-2)20(16)14-11-12-14/h3-8,13-14H,9-12H2,1-2H3
InChIKeyVKTUUQCHROZLGJ-UHFFFAOYSA-N
MW322.40 g/mol
LogP4.69
Rot. Bonds6

About bis(2-cyclopropyl-3-methoxyphenyl)methanone

bis(2-cyclopropyl-3-methoxyphenyl)methanone (PubChem CID 73011768) has the molecular formula C21H22O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is bis(2-cyclopropyl-3-methoxyphenyl)methanone.

Molecular Properties

Compound Namebis(2-cyclopropyl-3-methoxyphenyl)methanone
PubChem CID73011768
Molecular FormulaC21H22O3
Molecular Weight322.40 g/mol
Exact Mass322.16
IUPAC Namebis(2-cyclopropyl-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cccc(OC)c2C2CC2)c1C1CC1
InChIInChI=1S/C21H22O3/c1-23-17-7-3-5-15(19(17)13-9-10-13)21(22)16-6-4-8-18(24-2)20(16)14-11-12-14/h3-8,13-14H,9-12H2,1-2H3
InChIKeyVKTUUQCHROZLGJ-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-cyclopropyl-3-fluorophenyl)methanone
CID 73011767
2-cyclopropyl-1-fluoro-3-methoxybenzene
CID 144811064
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate
CID 142671917
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108

Frequently Asked Questions

What is the IUPAC name of bis(2-cyclopropyl-3-methoxyphenyl)methanone?
The IUPAC name of bis(2-cyclopropyl-3-methoxyphenyl)methanone (CID 73011768) is bis(2-cyclopropyl-3-methoxyphenyl)methanone.
What is the SMILES notation for bis(2-cyclopropyl-3-methoxyphenyl)methanone?
The canonical SMILES for bis(2-cyclopropyl-3-methoxyphenyl)methanone is COc1cccc(C(=O)c2cccc(OC)c2C2CC2)c1C1CC1.
What is the InChIKey of bis(2-cyclopropyl-3-methoxyphenyl)methanone?
The InChIKey is VKTUUQCHROZLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3/c1-23-17-7-3-5-15(19(17)13-9-10-13)21(22)16-6-4-8-18(24-2)20(16)14-11-12-14/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of bis(2-cyclopropyl-3-methoxyphenyl)methanone?
bis(2-cyclopropyl-3-methoxyphenyl)methanone has a molecular weight of 322.40 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyclopropyl-3-methoxyphenyl)methanone is sourced from PubChem (CID 73011768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).