1,3-dimethoxy-2-methyl-4-phenoxybenzene

C15H16O3 — CID 22071605

IUPAC1,3-dimethoxy-2-methyl-4-phenoxybenzene
SMILESCOc1ccc(Oc2ccccc2)c(OC)c1C
InChIInChI=1S/C15H16O3/c1-11-13(16-2)9-10-14(15(11)17-3)18-12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyHOPLBZHWTDDAEG-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.80
Rot. Bonds4

About 1,3-dimethoxy-2-methyl-4-phenoxybenzene

1,3-dimethoxy-2-methyl-4-phenoxybenzene (PubChem CID 22071605) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1,3-dimethoxy-2-methyl-4-phenoxybenzene.

Molecular Properties

Compound Name1,3-dimethoxy-2-methyl-4-phenoxybenzene
PubChem CID22071605
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name1,3-dimethoxy-2-methyl-4-phenoxybenzene
SMILESCOc1ccc(Oc2ccccc2)c(OC)c1C
InChIInChI=1S/C15H16O3/c1-11-13(16-2)9-10-14(15(11)17-3)18-12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyHOPLBZHWTDDAEG-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
1,2,3,4,5-pentamethoxy-6-phenoxybenzene
CID 91516072
3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile
CID 162731517
1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
CID 11419749
1,2,4-trimethyl-3,5-diphenoxybenzene
CID 141017491
3-methoxy-4-methyl-5-phenoxypyridine-2-carboxamide
CID 175581561
4,5-dimethyl-1-phenoxynaphthalene
CID 54090938
1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen
CID 70565966
ethane;1-methoxy-3-methyl-2-phenoxybenzene
CID 155714526
1-(4-methylphenyl)-4-phenoxynaphthalene
CID 174669549
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
(1S)-1-(2,4-dimethoxy-3-methylphenyl)-3-phenylprop-2-yn-1-ol
CID 101388609

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-methyl-4-phenoxybenzene?
The IUPAC name of 1,3-dimethoxy-2-methyl-4-phenoxybenzene (CID 22071605) is 1,3-dimethoxy-2-methyl-4-phenoxybenzene.
What is the SMILES notation for 1,3-dimethoxy-2-methyl-4-phenoxybenzene?
The canonical SMILES for 1,3-dimethoxy-2-methyl-4-phenoxybenzene is COc1ccc(Oc2ccccc2)c(OC)c1C.
What is the InChIKey of 1,3-dimethoxy-2-methyl-4-phenoxybenzene?
The InChIKey is HOPLBZHWTDDAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-11-13(16-2)9-10-14(15(11)17-3)18-12-7-5-4-6-8-12/h4-10H,1-3H3.
What are the key properties of 1,3-dimethoxy-2-methyl-4-phenoxybenzene?
1,3-dimethoxy-2-methyl-4-phenoxybenzene has a molecular weight of 244.29 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-methyl-4-phenoxybenzene is sourced from PubChem (CID 22071605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).