2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid

C26H38O3 — CID 131992439

IUPAC2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
SMILESO=C(O)CC1CCc2cc(C3CCCCCCCCCCCCC3)ccc2C1=O
InChIInChI=1S/C26H38O3/c27-25(28)19-23-15-14-22-18-21(16-17-24(22)26(23)29)20-12-10-8-6-4-2-1-3-5-7-9-11-13-20/h16-18,20,23H,1-15,19H2,(H,27,28)
InChIKeyGQEHNBOMAMXCKV-UHFFFAOYSA-N
MW398.59 g/mol
LogP7.07
Rot. Bonds3

About 2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid

2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid (PubChem CID 131992439) has the molecular formula C26H38O3 and a molecular weight of 398.59 g/mol. Its IUPAC name is 2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
PubChem CID131992439
Molecular FormulaC26H38O3
Molecular Weight398.59 g/mol
Exact Mass398.28
IUPAC Name2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
SMILESO=C(O)CC1CCc2cc(C3CCCCCCCCCCCCC3)ccc2C1=O
InChIInChI=1S/C26H38O3/c27-25(28)19-23-15-14-22-18-21(16-17-24(22)26(23)29)20-12-10-8-6-4-2-1-3-5-7-9-11-13-20/h16-18,20,23H,1-15,19H2,(H,27,28)
InChIKeyGQEHNBOMAMXCKV-UHFFFAOYSA-N
XLogP7.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclohexyl-2,3-dihydroinden-1-one
CID 125481421
2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide
CID 22998648
2-[1-oxo-6-(3-piperidin-4-ylpropoxy)-3,4-dihydro-2H-naphthalen-2-yl]acetic acid
CID 23377814
2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
CID 18424529
2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 11623142
methyl 2-(6-acetamido-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate
CID 21063015
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
3-[(2S)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]propanoic acid
CID 129394210
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one
CID 174638632
7-bromo-2-(4-cyclohexyl-2-oxobutyl)-3,4-dihydro-2H-naphthalen-1-one
CID 158528521

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid?
The IUPAC name of 2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid (CID 131992439) is 2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid is O=C(O)CC1CCc2cc(C3CCCCCCCCCCCCC3)ccc2C1=O.
What is the InChIKey of 2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid?
The InChIKey is GQEHNBOMAMXCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O3/c27-25(28)19-23-15-14-22-18-21(16-17-24(22)26(23)29)20-12-10-8-6-4-2-1-3-5-7-9-11-13-20/h16-18,20,23H,1-15,19H2,(H,27,28).
What are the key properties of 2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid?
2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid has a molecular weight of 398.59 g/mol, XLogP of 7.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid is sourced from PubChem (CID 131992439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).