1-methyl-4-(2-phenylmethoxyphenoxy)benzene

C20H18O2 — CID 12993342

IUPAC1-methyl-4-(2-phenylmethoxyphenoxy)benzene
SMILESCc1ccc(Oc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C20H18O2/c1-16-11-13-18(14-12-16)22-20-10-6-5-9-19(20)21-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyRSYHLLNARQINIM-UHFFFAOYSA-N
MW290.36 g/mol
LogP5.37
Rot. Bonds5

About 1-methyl-4-(2-phenylmethoxyphenoxy)benzene

1-methyl-4-(2-phenylmethoxyphenoxy)benzene (PubChem CID 12993342) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylmethoxyphenoxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(2-phenylmethoxyphenoxy)benzene
PubChem CID12993342
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name1-methyl-4-(2-phenylmethoxyphenoxy)benzene
SMILESCc1ccc(Oc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C20H18O2/c1-16-11-13-18(14-12-16)22-20-10-6-5-9-19(20)21-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyRSYHLLNARQINIM-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.36
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene
CID 58133164
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine
CID 155988342
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene
CID 123962900
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
(4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium
CID 8623256
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenylmethoxyphenoxy)benzene?
The IUPAC name of 1-methyl-4-(2-phenylmethoxyphenoxy)benzene (CID 12993342) is 1-methyl-4-(2-phenylmethoxyphenoxy)benzene.
What is the SMILES notation for 1-methyl-4-(2-phenylmethoxyphenoxy)benzene?
The canonical SMILES for 1-methyl-4-(2-phenylmethoxyphenoxy)benzene is Cc1ccc(Oc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-(2-phenylmethoxyphenoxy)benzene?
The InChIKey is RSYHLLNARQINIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-16-11-13-18(14-12-16)22-20-10-6-5-9-19(20)21-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of 1-methyl-4-(2-phenylmethoxyphenoxy)benzene?
1-methyl-4-(2-phenylmethoxyphenoxy)benzene has a molecular weight of 290.36 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylmethoxyphenoxy)benzene is sourced from PubChem (CID 12993342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).