1,2,4-trimethoxy-5-phenylbenzene

C15H16O3 — CID 18788699

IUPAC1,2,4-trimethoxy-5-phenylbenzene
SMILESCOc1cc(OC)c(-c2ccccc2)cc1OC
InChIInChI=1S/C15H16O3/c1-16-13-10-15(18-3)14(17-2)9-12(13)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyKYFDMGBQRHGKBX-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.38
Rot. Bonds4

About 1,2,4-trimethoxy-5-phenylbenzene

1,2,4-trimethoxy-5-phenylbenzene (PubChem CID 18788699) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1,2,4-trimethoxy-5-phenylbenzene.

Molecular Properties

Compound Name1,2,4-trimethoxy-5-phenylbenzene
PubChem CID18788699
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name1,2,4-trimethoxy-5-phenylbenzene
SMILESCOc1cc(OC)c(-c2ccccc2)cc1OC
InChIInChI=1S/C15H16O3/c1-16-13-10-15(18-3)14(17-2)9-12(13)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyKYFDMGBQRHGKBX-UHFFFAOYSA-N
XLogP3.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
2-(2,5-dimethoxy-4-phenylphenyl)acetic acid
CID 4270797
2,7-dimethoxy-9-methyl-3,6-diphenylcarbazole
CID 143239757
1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
CID 11419749
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
4,5-dimethoxy-2-phenylbenzamide
CID 141317116
1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine
CID 162400127
4-benzyl-1-methoxy-2-phenylbenzene
CID 19420150
4-(bromomethyl)-1-methoxy-2-phenylbenzene
CID 143810171
4-ethynyl-2-methoxy-1-phenylbenzene
CID 12788025
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethoxy-5-phenylbenzene?
The IUPAC name of 1,2,4-trimethoxy-5-phenylbenzene (CID 18788699) is 1,2,4-trimethoxy-5-phenylbenzene.
What is the SMILES notation for 1,2,4-trimethoxy-5-phenylbenzene?
The canonical SMILES for 1,2,4-trimethoxy-5-phenylbenzene is COc1cc(OC)c(-c2ccccc2)cc1OC.
What is the InChIKey of 1,2,4-trimethoxy-5-phenylbenzene?
The InChIKey is KYFDMGBQRHGKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-16-13-10-15(18-3)14(17-2)9-12(13)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 1,2,4-trimethoxy-5-phenylbenzene?
1,2,4-trimethoxy-5-phenylbenzene has a molecular weight of 244.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethoxy-5-phenylbenzene is sourced from PubChem (CID 18788699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).