7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid

C17H20O2 — CID 18472389

IUPAC7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1=Cc2cc(C3CCCCC3)ccc2CC1
InChIInChI=1S/C17H20O2/c18-17(19)15-9-7-13-6-8-14(10-16(13)11-15)12-4-2-1-3-5-12/h6,8,10-12H,1-5,7,9H2,(H,18,19)
InChIKeyWUXVSQOGSLBPLT-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.15
Rot. Bonds2

About 7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid

7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 18472389) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID18472389
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1=Cc2cc(C3CCCCC3)ccc2CC1
InChIInChI=1S/C17H20O2/c18-17(19)15-9-7-13-6-8-14(10-16(13)11-15)12-4-2-1-3-5-12/h6,8,10-12H,1-5,7,9H2,(H,18,19)
InChIKeyWUXVSQOGSLBPLT-UHFFFAOYSA-N
XLogP4.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid (CID 18472389) is 7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid is O=C(O)C1=Cc2cc(C3CCCCC3)ccc2CC1.
What is the InChIKey of 7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is WUXVSQOGSLBPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-17(19)15-9-7-13-6-8-14(10-16(13)11-15)12-4-2-1-3-5-12/h6,8,10-12H,1-5,7,9H2,(H,18,19).
What are the key properties of 7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid?
7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 18472389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).