bis(3-methoxy-2-methylphenyl)methanone

C17H18O3 — CID 139698462

IUPACbis(3-methoxy-2-methylphenyl)methanone
SMILESCOc1cccc(C(=O)c2cccc(OC)c2C)c1C
InChIInChI=1S/C17H18O3/c1-11-13(7-5-9-15(11)19-3)17(18)14-8-6-10-16(20-4)12(14)2/h5-10H,1-4H3
InChIKeyDJJQSWFPOJQQTB-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.55
Rot. Bonds4

About bis(3-methoxy-2-methylphenyl)methanone

bis(3-methoxy-2-methylphenyl)methanone (PubChem CID 139698462) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is bis(3-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Namebis(3-methoxy-2-methylphenyl)methanone
PubChem CID139698462
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namebis(3-methoxy-2-methylphenyl)methanone
SMILESCOc1cccc(C(=O)c2cccc(OC)c2C)c1C
InChIInChI=1S/C17H18O3/c1-11-13(7-5-9-15(11)19-3)17(18)14-8-6-10-16(20-4)12(14)2/h5-10H,1-4H3
InChIKeyDJJQSWFPOJQQTB-UHFFFAOYSA-N
XLogP3.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-methylbenzenecarboperoxoic acid
CID 174349354
methyl 3-methoxy-2-methylbenzoate
CID 12527049
(3-amino-2-methylphenyl)-(2-methoxyphenyl)methanone
CID 82044477
2-chloro-1-(3-methoxy-2-methylphenyl)propan-1-one
CID 130910393
3-methoxy-2-methylbenzohydrazide
CID 45091273
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
3-methoxy-2-methylbenzoyl isocyanate
CID 152742817
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82092906
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767

Frequently Asked Questions

What is the IUPAC name of bis(3-methoxy-2-methylphenyl)methanone?
The IUPAC name of bis(3-methoxy-2-methylphenyl)methanone (CID 139698462) is bis(3-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for bis(3-methoxy-2-methylphenyl)methanone?
The canonical SMILES for bis(3-methoxy-2-methylphenyl)methanone is COc1cccc(C(=O)c2cccc(OC)c2C)c1C.
What is the InChIKey of bis(3-methoxy-2-methylphenyl)methanone?
The InChIKey is DJJQSWFPOJQQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-13(7-5-9-15(11)19-3)17(18)14-8-6-10-16(20-4)12(14)2/h5-10H,1-4H3.
What are the key properties of bis(3-methoxy-2-methylphenyl)methanone?
bis(3-methoxy-2-methylphenyl)methanone has a molecular weight of 270.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 139698462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).