1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene

C23H24O — CID 19885717

IUPAC1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene
SMILESCc1cccc(C(C)(C)c2ccc(Oc3ccccc3)cc2)c1C
InChIInChI=1S/C23H24O/c1-17-9-8-12-22(18(17)2)23(3,4)19-13-15-21(16-14-19)24-20-10-6-5-7-11-20/h5-16H,1-4H3
InChIKeyJUSXPSCKZGWKHN-UHFFFAOYSA-N
MW316.44 g/mol
LogP6.42
Rot. Bonds4

About 1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene

1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene (PubChem CID 19885717) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene
PubChem CID19885717
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene
SMILESCc1cccc(C(C)(C)c2ccc(Oc3ccccc3)cc2)c1C
InChIInChI=1S/C23H24O/c1-17-9-8-12-22(18(17)2)23(3,4)19-13-15-21(16-14-19)24-20-10-6-5-7-11-20/h5-16H,1-4H3
InChIKeyJUSXPSCKZGWKHN-UHFFFAOYSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
3-[4-[2-[4-(4-tert-butylphenoxy)-2-methylphenyl]propan-2-yl]phenoxy]benzonitrile
CID 134379031
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
3-[4-(3-hydroxyphenoxy)-3-(2-phenylpropan-2-yl)phenoxy]phenol
CID 139938730
1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene
CID 19890139
phenoxybenzene;propane-2,2-diol
CID 174556232
(4-phenoxyphenyl) 2,3-dimethylbenzoate
CID 7961917
bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium
CID 161258227
1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene
CID 174418376
1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene
CID 159990763
4,4-dimethyl-3-(4-phenoxyphenyl)pent-1-yn-3-ol
CID 4674155
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene?
The IUPAC name of 1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene (CID 19885717) is 1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene?
The canonical SMILES for 1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene is Cc1cccc(C(C)(C)c2ccc(Oc3ccccc3)cc2)c1C.
What is the InChIKey of 1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene?
The InChIKey is JUSXPSCKZGWKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c1-17-9-8-12-22(18(17)2)23(3,4)19-13-15-21(16-14-19)24-20-10-6-5-7-11-20/h5-16H,1-4H3.
What are the key properties of 1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene?
1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene has a molecular weight of 316.44 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene is sourced from PubChem (CID 19885717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).