2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid

C22H28O3 — CID 143426829

IUPAC2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
SMILESCC1/C=C\C=C/CCC(Oc2ccc3c(c2)CCCC3CC(=O)O)C1
InChIInChI=1S/C22H28O3/c1-16-7-4-2-3-5-10-19(13-16)25-20-11-12-21-17(14-20)8-6-9-18(21)15-22(23)24/h2-4,7,11-12,14,16,18-19H,5-6,8-10,13,15H2,1H3,(H,23,24)/b3-2-,7-4-
InChIKeyRDYHGMNWLUZHIH-JXPISWCDSA-N
MW340.46 g/mol
LogP5.26
Rot. Bonds4

About 2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid

2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid (PubChem CID 143426829) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
PubChem CID143426829
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
SMILESCC1/C=C\C=C/CCC(Oc2ccc3c(c2)CCCC3CC(=O)O)C1
InChIInChI=1S/C22H28O3/c1-16-7-4-2-3-5-10-19(13-16)25-20-11-12-21-17(14-20)8-6-9-18(21)15-22(23)24/h2-4,7,11-12,14,16,18-19H,5-6,8-10,13,15H2,1H3,(H,23,24)/b3-2-,7-4-
InChIKeyRDYHGMNWLUZHIH-JXPISWCDSA-N
XLogP5.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
CID 161473981
2-[6-[2-(4-methoxyphenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 69177503
2-[(1S)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 59021811
2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 83824130
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
2-[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 66651542
2-[5-(2-ethoxy-2-oxoethoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 86196999
2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24983609
[5-(3-diazo-2-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl] acetate
CID 85205369
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 107684644

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
The IUPAC name of 2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid (CID 143426829) is 2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid.
What is the SMILES notation for 2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
The canonical SMILES for 2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid is CC1/C=C\C=C/CCC(Oc2ccc3c(c2)CCCC3CC(=O)O)C1.
What is the InChIKey of 2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
The InChIKey is RDYHGMNWLUZHIH-JXPISWCDSA-N. The full InChI is InChI=1S/C22H28O3/c1-16-7-4-2-3-5-10-19(13-16)25-20-11-12-21-17(14-20)8-6-9-18(21)15-22(23)24/h2-4,7,11-12,14,16,18-19H,5-6,8-10,13,15H2,1H3,(H,23,24)/b3-2-,7-4-.
What are the key properties of 2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid has a molecular weight of 340.46 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid is sourced from PubChem (CID 143426829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).