1-methyl-2-(3-phenoxyphenoxy)benzene

C19H16O2 — CID 91183986

IUPAC1-methyl-2-(3-phenoxyphenoxy)benzene
SMILESCc1ccccc1Oc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H16O2/c1-15-8-5-6-13-19(15)21-18-12-7-11-17(14-18)20-16-9-3-2-4-10-16/h2-14H,1H3
InChIKeyUXLOCWPTOFSGTC-UHFFFAOYSA-N
MW276.33 g/mol
LogP5.58
Rot. Bonds4

About 1-methyl-2-(3-phenoxyphenoxy)benzene

1-methyl-2-(3-phenoxyphenoxy)benzene (PubChem CID 91183986) has the molecular formula C19H16O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-methyl-2-(3-phenoxyphenoxy)benzene.

Molecular Properties

Compound Name1-methyl-2-(3-phenoxyphenoxy)benzene
PubChem CID91183986
Molecular FormulaC19H16O2
Molecular Weight276.33 g/mol
Exact Mass276.12
IUPAC Name1-methyl-2-(3-phenoxyphenoxy)benzene
SMILESCc1ccccc1Oc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H16O2/c1-15-8-5-6-13-19(15)21-18-12-7-11-17(14-18)20-16-9-3-2-4-10-16/h2-14H,1H3
InChIKeyUXLOCWPTOFSGTC-UHFFFAOYSA-N
XLogP5.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.33
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-2-phenoxybenzene
CID 90950955
1-fluoro-2-methyl-3-(3-phenoxyphenoxy)benzene
CID 141038647
1-(chloromethyl)-3-(2-methylphenoxy)benzene
CID 112594476
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526
N,N,2-trimethyl-6-phenoxyaniline
CID 91549486
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
(2-methylphenyl) 2-(3-phenoxyphenyl)acetate
CID 91335727
1-[3-(2-methylphenoxy)phenyl]propan-1-one
CID 114079071
N-methyl-3-(2-methylphenoxy)benzamide
CID 143860787

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-phenoxyphenoxy)benzene?
The IUPAC name of 1-methyl-2-(3-phenoxyphenoxy)benzene (CID 91183986) is 1-methyl-2-(3-phenoxyphenoxy)benzene.
What is the SMILES notation for 1-methyl-2-(3-phenoxyphenoxy)benzene?
The canonical SMILES for 1-methyl-2-(3-phenoxyphenoxy)benzene is Cc1ccccc1Oc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-methyl-2-(3-phenoxyphenoxy)benzene?
The InChIKey is UXLOCWPTOFSGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-15-8-5-6-13-19(15)21-18-12-7-11-17(14-18)20-16-9-3-2-4-10-16/h2-14H,1H3.
What are the key properties of 1-methyl-2-(3-phenoxyphenoxy)benzene?
1-methyl-2-(3-phenoxyphenoxy)benzene has a molecular weight of 276.33 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-phenoxyphenoxy)benzene is sourced from PubChem (CID 91183986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).