4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene

C24H20Cl2 — CID 10317549

IUPAC4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene
SMILESClc1ccc(CC2(Cc3ccc(Cl)cc3)C=CCc3ccccc32)cc1
InChIInChI=1S/C24H20Cl2/c25-21-11-7-18(8-12-21)16-24(17-19-9-13-22(26)14-10-19)15-3-5-20-4-1-2-6-23(20)24/h1-4,6-15H,5,16-17H2
InChIKeySVFQMXPZPVVLAR-UHFFFAOYSA-N
MW379.33 g/mol
LogP6.83
Rot. Bonds4

About 4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene

4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene (PubChem CID 10317549) has the molecular formula C24H20Cl2 and a molecular weight of 379.33 g/mol. Its IUPAC name is 4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene.

Molecular Properties

Compound Name4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene
PubChem CID10317549
Molecular FormulaC24H20Cl2
Molecular Weight379.33 g/mol
Exact Mass378.09
IUPAC Name4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene
SMILESClc1ccc(CC2(Cc3ccc(Cl)cc3)C=CCc3ccccc32)cc1
InChIInChI=1S/C24H20Cl2/c25-21-11-7-18(8-12-21)16-24(17-19-9-13-22(26)14-10-19)15-3-5-20-4-1-2-6-23(20)24/h1-4,6-15H,5,16-17H2
InChIKeySVFQMXPZPVVLAR-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.33
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-bis(prop-2-enyl)-1H-naphthalene
CID 10353080
1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
CID 65409313
1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402869
3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine
CID 79460872
3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
CID 79451717
spiro[1H-naphthalene-4,4'-piperidine]
CID 22012177
(2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one
CID 135054407
1-chloro-4-[(1-methylcyclopropyl)methyl]benzene
CID 134855306
(1S)-1-propyl-4H-naphthalene-1-carbaldehyde
CID 11008955
dimethyl 4H-naphthalene-1,1-dicarboxylate
CID 14462724
1-bromo-1-[(4-chlorophenyl)methyl]naphthalen-2-one
CID 132549977
8-[(4-chlorophenyl)methyl]-1,12-dimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene
CID 163563707

Frequently Asked Questions

What is the IUPAC name of 4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene?
The IUPAC name of 4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene (CID 10317549) is 4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene.
What is the SMILES notation for 4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene?
The canonical SMILES for 4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene is Clc1ccc(CC2(Cc3ccc(Cl)cc3)C=CCc3ccccc32)cc1.
What is the InChIKey of 4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene?
The InChIKey is SVFQMXPZPVVLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2/c25-21-11-7-18(8-12-21)16-24(17-19-9-13-22(26)14-10-19)15-3-5-20-4-1-2-6-23(20)24/h1-4,6-15H,5,16-17H2.
What are the key properties of 4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene?
4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene has a molecular weight of 379.33 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis[(4-chlorophenyl)methyl]-1H-naphthalene is sourced from PubChem (CID 10317549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).