2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid

C32H34O4 — CID 19830792

IUPAC2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid
SMILESCOc1ccc(-c2ccc3cc(OC)ccc3c2CCCCCCc2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C32H34O4/c1-35-27-16-13-25(14-17-27)29-19-15-26-22-28(36-2)18-20-30(26)31(29)8-6-4-3-5-7-23-9-11-24(12-10-23)21-32(33)34/h9-20,22H,3-8,21H2,1-2H3,(H,33,34)
InChIKeyDGKLMYSXDMDRDL-UHFFFAOYSA-N
MW482.62 g/mol
LogP7.50
Rot. Bonds12

About 2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid

2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid (PubChem CID 19830792) has the molecular formula C32H34O4 and a molecular weight of 482.62 g/mol. Its IUPAC name is 2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid
PubChem CID19830792
Molecular FormulaC32H34O4
Molecular Weight482.62 g/mol
Exact Mass482.25
IUPAC Name2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid
SMILESCOc1ccc(-c2ccc3cc(OC)ccc3c2CCCCCCc2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C32H34O4/c1-35-27-16-13-25(14-17-27)29-19-15-26-22-28(36-2)18-20-30(26)31(29)8-6-4-3-5-7-23-9-11-24(12-10-23)21-32(33)34/h9-20,22H,3-8,21H2,1-2H3,(H,33,34)
InChIKeyDGKLMYSXDMDRDL-UHFFFAOYSA-N
XLogP7.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-2-(4,4,5,5,5-pentafluoropentyl)nonanoic acid
CID 22718042
(4-methylphenyl) 4-[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butanoate
CID 70016688
(2S)-2-[1-[9-[2-[(1S)-1-carboxyethyl]-6-methoxynaphthalen-1-yl]nonyl]-6-methoxynaphthalen-2-yl]propanoic acid
CID 178182940
2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
CID 54758883
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
2-[3-(4-aminobutyl)-2-(4-methoxyphenyl)-1H-indol-5-yl]acetic acid
CID 3893491
[4-[6-acetyloxy-1-[11-oxo-11-(pentylamino)undecyl]naphthalen-2-yl]phenyl] acetate
CID 54458182
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
CID 70014460
5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
CID 68746310
4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene
CID 126599983
2-[4-[5-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pentyl]phenyl]acetic acid
CID 19830764

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid (CID 19830792) is 2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid is COc1ccc(-c2ccc3cc(OC)ccc3c2CCCCCCc2ccc(CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid?
The InChIKey is DGKLMYSXDMDRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O4/c1-35-27-16-13-25(14-17-27)29-19-15-26-22-28(36-2)18-20-30(26)31(29)8-6-4-3-5-7-23-9-11-24(12-10-23)21-32(33)34/h9-20,22H,3-8,21H2,1-2H3,(H,33,34).
What are the key properties of 2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid?
2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid has a molecular weight of 482.62 g/mol, XLogP of 7.50, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]hexyl]phenyl]acetic acid is sourced from PubChem (CID 19830792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).