8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde

C18H14ClFO — CID 143762424

IUPAC8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde
SMILESCc1ccc(Cl)c(C2=CCCc3ccc(C=O)cc32)c1F
InChIInChI=1S/C18H14ClFO/c1-11-5-8-16(19)17(18(11)20)14-4-2-3-13-7-6-12(10-21)9-15(13)14/h4-10H,2-3H2,1H3
InChIKeyPSGZOUWDQQVPAH-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.98
Rot. Bonds2

About 8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde

8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde (PubChem CID 143762424) has the molecular formula C18H14ClFO and a molecular weight of 300.76 g/mol. Its IUPAC name is 8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde
PubChem CID143762424
Molecular FormulaC18H14ClFO
Molecular Weight300.76 g/mol
Exact Mass300.07
IUPAC Name8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde
SMILESCc1ccc(Cl)c(C2=CCCc3ccc(C=O)cc32)c1F
InChIInChI=1S/C18H14ClFO/c1-11-5-8-16(19)17(18(11)20)14-4-2-3-13-7-6-12(10-21)9-15(13)14/h4-10H,2-3H2,1H3
InChIKeyPSGZOUWDQQVPAH-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde
CID 105408282
4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde
CID 172653843
8-(2-chloro-6-fluorophenyl)-N-(diaminomethylidene)-5,6-dihydronaphthalene-2-carboxamide
CID 58406576
4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde
CID 89139648
8-(5-chloro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58406897
3-(2,4-difluoro-5-methylphenyl)-4-methylbenzaldehyde
CID 105409734
3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde
CID 61033101
(2-chloro-4-formylphenyl)boronic acid
CID 53216420
4-chloro-3-(3-fluorophenyl)benzaldehyde
CID 82106981
4-(4-chloronaphthalen-1-yl)-3-methylbenzaldehyde
CID 81448180
4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
CID 91108589
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde
CID 103497669

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde (CID 143762424) is 8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde is Cc1ccc(Cl)c(C2=CCCc3ccc(C=O)cc32)c1F.
What is the InChIKey of 8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde?
The InChIKey is PSGZOUWDQQVPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFO/c1-11-5-8-16(19)17(18(11)20)14-4-2-3-13-7-6-12(10-21)9-15(13)14/h4-10H,2-3H2,1H3.
What are the key properties of 8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde?
8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde has a molecular weight of 300.76 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 143762424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).