2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid

C34H33NO5 — CID 15485750

IUPAC2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid
SMILESCCCc1cc(Oc2ccc(OCc3ccccc3)cc2)ccc1OCCc1cc2cc(CC(=O)O)ccc2[nH]1
InChIInChI=1S/C34H33NO5/c1-2-6-26-22-31(40-30-12-10-29(11-13-30)39-23-24-7-4-3-5-8-24)14-16-33(26)38-18-17-28-21-27-19-25(20-34(36)37)9-15-32(27)35-28/h3-5,7-16,19,21-22,35H,2,6,17-18,20,23H2,1H3,(H,36,37)
InChIKeyWGXQRFAZFPRDRX-UHFFFAOYSA-N
MW535.64 g/mol
LogP7.74
Rot. Bonds13

About 2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid

2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid (PubChem CID 15485750) has the molecular formula C34H33NO5 and a molecular weight of 535.64 g/mol. Its IUPAC name is 2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid
PubChem CID15485750
Molecular FormulaC34H33NO5
Molecular Weight535.64 g/mol
Exact Mass535.24
IUPAC Name2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid
SMILESCCCc1cc(Oc2ccc(OCc3ccccc3)cc2)ccc1OCCc1cc2cc(CC(=O)O)ccc2[nH]1
InChIInChI=1S/C34H33NO5/c1-2-6-26-22-31(40-30-12-10-29(11-13-30)39-23-24-7-4-3-5-8-24)14-16-33(26)38-18-17-28-21-27-19-25(20-34(36)37)9-15-32(27)35-28/h3-5,7-16,19,21-22,35H,2,6,17-18,20,23H2,1H3,(H,36,37)
InChIKeyWGXQRFAZFPRDRX-UHFFFAOYSA-N
XLogP7.74
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.64
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-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-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]ethane-1,1-diol
CID 54369711
2-[2-[2-(4-phenoxy-3-propylphenoxy)ethyl]-1H-indol-5-yl]acetic acid
CID 18672485
4-[4-[2-[5-(2-methylperoxyethyl)-1H-indol-2-yl]ethoxy]-3-propylphenoxy]phenol
CID 54435635
2-[2-[2-[4-[1-(4-hydroxyphenoxy)propan-2-yl]phenoxy]ethyl]-1H-indol-5-yl]acetic acid
CID 54018110
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 67870554
methyl 2-[3-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 22459062
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
ethyl 2-hydroxy-2-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 22458966
2-[2-[2-[2-(7-nitroso-4-oxooctan-3-yl)phenoxy]ethyl]-1H-indol-5-yl]acetic acid
CID 54075816
methyl 2-[3-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butoxy]phenyl]acetate
CID 22458910
1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine
CID 10564721
benzyl (5R)-2,4-dioxo-5-[3-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]-1,3-thiazolidine-5-carboxylate
CID 134465280

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid?
The IUPAC name of 2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid (CID 15485750) is 2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid is CCCc1cc(Oc2ccc(OCc3ccccc3)cc2)ccc1OCCc1cc2cc(CC(=O)O)ccc2[nH]1.
What is the InChIKey of 2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid?
The InChIKey is WGXQRFAZFPRDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33NO5/c1-2-6-26-22-31(40-30-12-10-29(11-13-30)39-23-24-7-4-3-5-8-24)14-16-33(26)38-18-17-28-21-27-19-25(20-34(36)37)9-15-32(27)35-28/h3-5,7-16,19,21-22,35H,2,6,17-18,20,23H2,1H3,(H,36,37).
What are the key properties of 2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid?
2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid has a molecular weight of 535.64 g/mol, XLogP of 7.74, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid is sourced from PubChem (CID 15485750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).