4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol

C26H22O2 — CID 143612086

IUPAC4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol
SMILESCc1ccc(Cc2ccc(Oc3ccc(O)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H22O2/c1-19-7-9-20(10-8-19)17-21-11-14-24(15-12-21)28-26-16-13-23(27)18-25(26)22-5-3-2-4-6-22/h2-16,18,27H,17H2,1H3
InChIKeyXTGWZPCUCVMQIP-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.75
Rot. Bonds5

About 4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol

4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol (PubChem CID 143612086) has the molecular formula C26H22O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol.

Molecular Properties

Compound Name4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol
PubChem CID143612086
Molecular FormulaC26H22O2
Molecular Weight366.46 g/mol
Exact Mass366.16
IUPAC Name4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol
SMILESCc1ccc(Cc2ccc(Oc3ccc(O)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H22O2/c1-19-7-9-20(10-8-19)17-21-11-14-24(15-12-21)28-26-16-13-23(27)18-25(26)22-5-3-2-4-6-22/h2-16,18,27H,17H2,1H3
InChIKeyXTGWZPCUCVMQIP-UHFFFAOYSA-N
XLogP6.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane
CID 144542678
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 59847031
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene
CID 142960457
5-(5-hydroxy-2-phenoxyphenyl)-2-propan-2-ylphenol
CID 149387940
4-benzyl-1-methoxy-2-phenylbenzene
CID 19420150
[4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid
CID 158257887
1-(4-methylphenyl)-4-phenoxynaphthalene
CID 174669549
bis(4-hydroxy-2-phenylphenoxy)borinic acid
CID 139941663
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene
CID 87662305

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol?
The IUPAC name of 4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol (CID 143612086) is 4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol.
What is the SMILES notation for 4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol?
The canonical SMILES for 4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol is Cc1ccc(Cc2ccc(Oc3ccc(O)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol?
The InChIKey is XTGWZPCUCVMQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2/c1-19-7-9-20(10-8-19)17-21-11-14-24(15-12-21)28-26-16-13-23(27)18-25(26)22-5-3-2-4-6-22/h2-16,18,27H,17H2,1H3.
What are the key properties of 4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol?
4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol has a molecular weight of 366.46 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol is sourced from PubChem (CID 143612086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).