2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C19H28O2 — CID 65408549

IUPAC2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCCCCC(CC)CC1(C(=O)O)CCc2ccccc2C1
InChIInChI=1S/C19H28O2/c1-3-5-8-15(4-2)13-19(18(20)21)12-11-16-9-6-7-10-17(16)14-19/h6-7,9-10,15H,3-5,8,11-14H2,1-2H3,(H,20,21)
InChIKeyKTBFGMNLFMHUNF-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.85
Rot. Bonds7

About 2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 65408549) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID65408549
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCCCCC(CC)CC1(C(=O)O)CCc2ccccc2C1
InChIInChI=1S/C19H28O2/c1-3-5-8-15(4-2)13-19(18(20)21)12-11-16-9-6-7-10-17(16)14-19/h6-7,9-10,15H,3-5,8,11-14H2,1-2H3,(H,20,21)
InChIKeyKTBFGMNLFMHUNF-UHFFFAOYSA-N
XLogP4.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-hydroxybutyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 79429452
2-(2-ethylhexyl)-1,3-dihydroinden-2-amine
CID 63408261
2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419
2-but-2-ynyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 79429542
2-(4-methoxybutyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 104650574
[4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone
CID 71131328
2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 114188987
4-ethyl-1-phenyloctan-1-one
CID 63399594
15,15-bis(2-ethylhexyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene
CID 86062212
2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 65407586
2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 65408357
2-benzhydrylidene-4-ethyloctanoic acid
CID 57302875

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 65408549) is 2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is CCCCC(CC)CC1(C(=O)O)CCc2ccccc2C1.
What is the InChIKey of 2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is KTBFGMNLFMHUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-3-5-8-15(4-2)13-19(18(20)21)12-11-16-9-6-7-10-17(16)14-19/h6-7,9-10,15H,3-5,8,11-14H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 288.43 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 65408549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).