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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Related Compounds

4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid
CID 21484415
6-cyclohexyl-2,3-dihydroinden-1-one
CID 125481421
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
ethyl 5-cyclopropyl-1H-indene-2-carboxylate
CID 159652933
3,6-dicyclohexyl-9H-fluorene
CID 87146028
(NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 87840438
3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol
CID 114194593
8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione
CID 82159815
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
CID 131992439
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
3-cyclohexyl-5-fluorobenzoic acid
CID 83382352

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).