4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene

C21H21Cl — CID 25135457

IUPAC4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene
SMILESCC(C)=C1C=C(c2ccc(Cl)cc2)c2ccccc2C1(C)C
InChIInChI=1S/C21H21Cl/c1-14(2)20-13-18(15-9-11-16(22)12-10-15)17-7-5-6-8-19(17)21(20,3)4/h5-13H,1-4H3
InChIKeyRDVAHHQYWHYMCG-UHFFFAOYSA-N
MW308.85 g/mol
LogP6.40
Rot. Bonds1

About 4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene

4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene (PubChem CID 25135457) has the molecular formula C21H21Cl and a molecular weight of 308.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene
PubChem CID25135457
Molecular FormulaC21H21Cl
Molecular Weight308.85 g/mol
Exact Mass308.13
IUPAC Name4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene
SMILESCC(C)=C1C=C(c2ccc(Cl)cc2)c2ccccc2C1(C)C
InChIInChI=1S/C21H21Cl/c1-14(2)20-13-18(15-9-11-16(22)12-10-15)17-7-5-6-8-19(17)21(20,3)4/h5-13H,1-4H3
InChIKeyRDVAHHQYWHYMCG-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.85
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-chlorophenyl)-9,9-dimethylfluorene
CID 118193752
2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 134253362
1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
CID 156827027
3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene
CID 135024717
2-[2-(4-chlorophenyl)phenyl]-9-(4-fluorophenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 134253360
3-(4-chlorophenyl)-7,7-dimethylbenzo[a]phenalene
CID 175136374
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
2-(4-chlorophenyl)-5-hydroxynaphthalene-1,4-dione
CID 164609710
2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 130260461
N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline
CID 168837214
5-bromo-3-chloro-9,9-dimethylfluorene
CID 175668699

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene?
The IUPAC name of 4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene (CID 25135457) is 4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene.
What is the SMILES notation for 4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene?
The canonical SMILES for 4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene is CC(C)=C1C=C(c2ccc(Cl)cc2)c2ccccc2C1(C)C.
What is the InChIKey of 4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene?
The InChIKey is RDVAHHQYWHYMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl/c1-14(2)20-13-18(15-9-11-16(22)12-10-15)17-7-5-6-8-19(17)21(20,3)4/h5-13H,1-4H3.
What are the key properties of 4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene?
4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene has a molecular weight of 308.85 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene is sourced from PubChem (CID 25135457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).