2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene

C15H15F — CID 158519534

IUPAC2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1Cc1ccc(F)cc1
InChIInChI=1S/C15H15F/c1-11-4-3-5-12(2)15(11)10-13-6-8-14(16)9-7-13/h3-9H,10H2,1-2H3
InChIKeyHMAWEQQAZDNSRL-UHFFFAOYSA-N
MW214.28 g/mol
LogP4.03
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene

2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene (PubChem CID 158519534) has the molecular formula C15H15F and a molecular weight of 214.28 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene
PubChem CID158519534
Molecular FormulaC15H15F
Molecular Weight214.28 g/mol
Exact Mass214.12
IUPAC Name2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1Cc1ccc(F)cc1
InChIInChI=1S/C15H15F/c1-11-4-3-5-12(2)15(11)10-13-6-8-14(16)9-7-13/h3-9H,10H2,1-2H3
InChIKeyHMAWEQQAZDNSRL-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol
CID 141114288
2-[(4-fluorophenyl)methyl]-3,6-dimethylbenzonitrile
CID 15933387
2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene
CID 141114297
2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene
CID 122535416
2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene
CID 78998480
2-[(4-chlorophenyl)methyl]-3-methylaniline
CID 70469771
1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene
CID 142860311
1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
(2-benzyl-3-methylphenyl)phosphane
CID 54016986
2-benzyl-1-iodo-3-methylbenzene
CID 91202861
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168
1-[[4-[(2,3-dimethylphenyl)methyl]phenyl]methyl]-2,3-dimethylbenzene
CID 123304206

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene (CID 158519534) is 2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene is Cc1cccc(C)c1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene?
The InChIKey is HMAWEQQAZDNSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F/c1-11-4-3-5-12(2)15(11)10-13-6-8-14(16)9-7-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene?
2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene has a molecular weight of 214.28 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene is sourced from PubChem (CID 158519534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).