3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid

C24H27NO3 — CID 22558657

IUPAC3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OC2CCCCCC2)c(-c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C24H27NO3/c26-24(27)12-8-17-7-11-23(28-20-5-3-1-2-4-6-20)21(15-17)18-9-10-22-19(16-18)13-14-25-22/h7,9-11,13-16,20,25H,1-6,8,12H2,(H,26,27)
InChIKeyQZLRZWJASDEWQT-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.95
Rot. Bonds6

About 3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid

3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid (PubChem CID 22558657) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid
PubChem CID22558657
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OC2CCCCCC2)c(-c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C24H27NO3/c26-24(27)12-8-17-7-11-23(28-20-5-3-1-2-4-6-20)21(15-17)18-9-10-22-19(16-18)13-14-25-22/h7,9-11,13-16,20,25H,1-6,8,12H2,(H,26,27)
InChIKeyQZLRZWJASDEWQT-UHFFFAOYSA-N
XLogP5.95
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(1H-indol-5-yl)-4-(3-methylcyclopentyl)oxyphenyl]propanoic acid
CID 22559146
3-[4-cycloheptyloxy-3-(1-methylindazol-5-yl)phenyl]propanoic acid
CID 22559270
3-[4-[2-(2-fluorophenyl)ethoxy]-3-(1H-indol-5-yl)phenyl]propanoic acid
CID 10126771
3-[3-(1H-indol-5-yl)-4-[(2-methylphenyl)methoxy]phenyl]propanoic acid
CID 10237427
3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid
CID 22558674
3-[3-(1H-indol-5-yl)-4-[2-(1H-indol-3-yl)ethoxy]phenyl]propanoic acid
CID 22559152
3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid
CID 22558968
6-[5-(2-carboxyethyl)-2-(cyclohexylmethoxy)phenyl]naphthalene-2-carboxylic acid
CID 22558817
3-(1H-indol-6-yl)propanoic acid
CID 23178857
methyl 3-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(1H-indol-5-yl)phenyl]propanoate
CID 22558753
methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate
CID 22559002
1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 120512524

Frequently Asked Questions

What is the IUPAC name of 3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid (CID 22558657) is 3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid is O=C(O)CCc1ccc(OC2CCCCCC2)c(-c2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid?
The InChIKey is QZLRZWJASDEWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c26-24(27)12-8-17-7-11-23(28-20-5-3-1-2-4-6-20)21(15-17)18-9-10-22-19(16-18)13-14-25-22/h7,9-11,13-16,20,25H,1-6,8,12H2,(H,26,27).
What are the key properties of 3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid?
3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid has a molecular weight of 377.48 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 22558657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).