5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid

C17H13ClO2 — CID 115057864

IUPAC5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1=C(c2ccccc2)c2cccc(Cl)c2CC1
InChIInChI=1S/C17H13ClO2/c18-15-8-4-7-13-12(15)9-10-14(17(19)20)16(13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)
InChIKeyUVUWQKYJHRFJQY-UHFFFAOYSA-N
MW284.74 g/mol
LogP4.17
Rot. Bonds2

About 5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid

5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 115057864) has the molecular formula C17H13ClO2 and a molecular weight of 284.74 g/mol. Its IUPAC name is 5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID115057864
Molecular FormulaC17H13ClO2
Molecular Weight284.74 g/mol
Exact Mass284.06
IUPAC Name5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1=C(c2ccccc2)c2cccc(Cl)c2CC1
InChIInChI=1S/C17H13ClO2/c18-15-8-4-7-13-12(15)9-10-14(17(19)20)16(13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)
InChIKeyUVUWQKYJHRFJQY-UHFFFAOYSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid (CID 115057864) is 5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid is O=C(O)C1=C(c2ccccc2)c2cccc(Cl)c2CC1.
What is the InChIKey of 5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is UVUWQKYJHRFJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO2/c18-15-8-4-7-13-12(15)9-10-14(17(19)20)16(13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20).
What are the key properties of 5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid?
5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid has a molecular weight of 284.74 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115057864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).