(2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone

C24H23ClO5 — CID 15430946

IUPAC(2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2c(Cl)cccc2OC)c(OCc2ccccc2)c1OC
InChIInChI=1S/C24H23ClO5/c1-15-13-19(28-3)23(29-4)24(30-14-16-9-6-5-7-10-16)20(15)22(26)21-17(25)11-8-12-18(21)27-2/h5-13H,14H2,1-4H3
InChIKeyRAVWIBUDBYMCIM-UHFFFAOYSA-N
MW426.90 g/mol
LogP5.48
Rot. Bonds8

About (2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone

(2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone (PubChem CID 15430946) has the molecular formula C24H23ClO5 and a molecular weight of 426.90 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone
PubChem CID15430946
Molecular FormulaC24H23ClO5
Molecular Weight426.90 g/mol
Exact Mass426.12
IUPAC Name(2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2c(Cl)cccc2OC)c(OCc2ccccc2)c1OC
InChIInChI=1S/C24H23ClO5/c1-15-13-19(28-3)23(29-4)24(30-14-16-9-6-5-7-10-16)20(15)22(26)21-17(25)11-8-12-18(21)27-2/h5-13H,14H2,1-4H3
InChIKeyRAVWIBUDBYMCIM-UHFFFAOYSA-N
XLogP5.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.90
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone
CID 22719952
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515179
4-(2,6-dichlorobenzoyl)-3,5-bis(phenylmethoxy)benzoic acid
CID 54042126
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515178
phenyl 3-methoxy-2,5-dimethyl-6-phenylmethoxybenzoate
CID 88854777
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
[3-methyl-2-(2,3,4-trimethoxy-6-methylbenzoyl)phenyl] acetate
CID 22671378
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
(6-chloro-2,3-dimethoxyphenyl)-[2-[(4-fluorophenyl)methoxy]-4-methoxy-6-methylphenyl]methanone
CID 67592875
CID 70012742
CID 70012742
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone?
The IUPAC name of (2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone (CID 15430946) is (2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone is COc1cc(C)c(C(=O)c2c(Cl)cccc2OC)c(OCc2ccccc2)c1OC.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone?
The InChIKey is RAVWIBUDBYMCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClO5/c1-15-13-19(28-3)23(29-4)24(30-14-16-9-6-5-7-10-16)20(15)22(26)21-17(25)11-8-12-18(21)27-2/h5-13H,14H2,1-4H3.
What are the key properties of (2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone?
(2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone has a molecular weight of 426.90 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 15430946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).