2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene

C22H21ClO — CID 68866864

IUPAC2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene
SMILESCc1cc(OCc2ccccc2)cc(C)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClO/c1-16-12-21(24-15-19-6-4-3-5-7-19)13-17(2)22(16)14-18-8-10-20(23)11-9-18/h3-13H,14-15H2,1-2H3
InChIKeyQUIDAGHZXXBDQM-UHFFFAOYSA-N
MW336.86 g/mol
LogP6.13
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene

2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene (PubChem CID 68866864) has the molecular formula C22H21ClO and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene
PubChem CID68866864
Molecular FormulaC22H21ClO
Molecular Weight336.86 g/mol
Exact Mass336.13
IUPAC Name2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene
SMILESCc1cc(OCc2ccccc2)cc(C)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClO/c1-16-12-21(24-15-19-6-4-3-5-7-19)13-17(2)22(16)14-18-8-10-20(23)11-9-18/h3-13H,14-15H2,1-2H3
InChIKeyQUIDAGHZXXBDQM-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.86
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene
CID 24763942
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol
CID 162653832
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63497021
2-[4-[(4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
CID 162661242
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene (CID 68866864) is 2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene is Cc1cc(OCc2ccccc2)cc(C)c1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene?
The InChIKey is QUIDAGHZXXBDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClO/c1-16-12-21(24-15-19-6-4-3-5-7-19)13-17(2)22(16)14-18-8-10-20(23)11-9-18/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene?
2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene has a molecular weight of 336.86 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene is sourced from PubChem (CID 68866864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).