7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid

C13H14O2 — CID 82076590

IUPAC7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid
SMILESCCc1ccc2c(c1)C(C(=O)O)=CCC2
InChIInChI=1S/C13H14O2/c1-2-9-6-7-10-4-3-5-11(13(14)15)12(10)8-9/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyLWSCTAKZSCIAIS-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.66
Rot. Bonds2

About 7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid

7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid (PubChem CID 82076590) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid
PubChem CID82076590
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid
SMILESCCc1ccc2c(c1)C(C(=O)O)=CCC2
InChIInChI=1S/C13H14O2/c1-2-9-6-7-10-4-3-5-11(13(14)15)12(10)8-9/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyLWSCTAKZSCIAIS-UHFFFAOYSA-N
XLogP2.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82081831
7-ethyl-3,4-dihydronaphthalene-1-carbonitrile
CID 82075141
2-(7-ethyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82055331
(NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 82074881
1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 143342026
ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene
CID 169195757
(NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 12699412
N-[4-[(1-ethylazepan-1-ium-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-1-carboxamide
CID 173163126
6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid
CID 91060102
ethane;7-ethyl-3,4-dihydroisoquinolin-2-id-1-one;rubidium(1+)
CID 145270202
5-ethyl-1,3-dihydroisoindole-2-carboxylic acid
CID 143402726
2,6-diethylanthracene-9,10-dione
CID 130464580

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid?
The IUPAC name of 7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid (CID 82076590) is 7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid?
The canonical SMILES for 7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid is CCc1ccc2c(c1)C(C(=O)O)=CCC2.
What is the InChIKey of 7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid?
The InChIKey is LWSCTAKZSCIAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-9-6-7-10-4-3-5-11(13(14)15)12(10)8-9/h5-8H,2-4H2,1H3,(H,14,15).
What are the key properties of 7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid?
7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 82076590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).