2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one

C33H34O5 — CID 58608948

IUPAC2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one
SMILESCOc1cccc(Oc2ccccc2)c1C(C)(C)C(=O)C(C)(C)c1c(OC)cccc1Oc1ccccc1
InChIInChI=1S/C33H34O5/c1-32(2,29-25(35-5)19-13-21-27(29)37-23-15-9-7-10-16-23)31(34)33(3,4)30-26(36-6)20-14-22-28(30)38-24-17-11-8-12-18-24/h7-22H,1-6H3
InChIKeyHNUPZDUGSPHYMA-UHFFFAOYSA-N
MW510.63 g/mol
LogP8.11
Rot. Bonds10

About 2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one

2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one (PubChem CID 58608948) has the molecular formula C33H34O5 and a molecular weight of 510.63 g/mol. Its IUPAC name is 2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one.

Molecular Properties

Compound Name2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one
PubChem CID58608948
Molecular FormulaC33H34O5
Molecular Weight510.63 g/mol
Exact Mass510.24
IUPAC Name2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one
SMILESCOc1cccc(Oc2ccccc2)c1C(C)(C)C(=O)C(C)(C)c1c(OC)cccc1Oc1ccccc1
InChIInChI=1S/C33H34O5/c1-32(2,29-25(35-5)19-13-21-27(29)37-23-15-9-7-10-16-23)31(34)33(3,4)30-26(36-6)20-14-22-28(30)38-24-17-11-8-12-18-24/h7-22H,1-6H3
InChIKeyHNUPZDUGSPHYMA-UHFFFAOYSA-N
XLogP8.11
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-6-phenoxyphenyl)ethanol
CID 113389264
2-hydroxy-2-(2-phenoxyphenyl)propanoic acid
CID 174597683
(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 100551442
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
(2,6-dimethoxyphenyl) 4-phenoxybenzoate
CID 7934769
N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide
CID 108987184
N-(3-methoxyphenyl)-N'-(2-phenoxyphenyl)oxamide
CID 108987248
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
CID 84693330
1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea
CID 139434076
2-methoxy-N-[4-(2-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 131944896
benzoyl-(2,6-diphenoxyphenyl)-methyl-(2,4,6-trimethoxybenzoyl)phosphanium
CID 70014463
1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene
CID 19890139

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one?
The IUPAC name of 2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one (CID 58608948) is 2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one.
What is the SMILES notation for 2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one?
The canonical SMILES for 2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one is COc1cccc(Oc2ccccc2)c1C(C)(C)C(=O)C(C)(C)c1c(OC)cccc1Oc1ccccc1.
What is the InChIKey of 2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one?
The InChIKey is HNUPZDUGSPHYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O5/c1-32(2,29-25(35-5)19-13-21-27(29)37-23-15-9-7-10-16-23)31(34)33(3,4)30-26(36-6)20-14-22-28(30)38-24-17-11-8-12-18-24/h7-22H,1-6H3.
What are the key properties of 2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one?
2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one has a molecular weight of 510.63 g/mol, XLogP of 8.11, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one is sourced from PubChem (CID 58608948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).