2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid

C35H27NO4 — CID 10346756

IUPAC2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Cn2cc(C(=O)c3cccc4ccccc34)c3cc(OCc4ccccc4)ccc32)cc1
InChIInChI=1S/C35H27NO4/c37-34(38)19-24-13-15-25(16-14-24)21-36-22-32(35(39)30-12-6-10-27-9-4-5-11-29(27)30)31-20-28(17-18-33(31)36)40-23-26-7-2-1-3-8-26/h1-18,20,22H,19,21,23H2,(H,37,38)
InChIKeyOEXARBJNOQARFV-UHFFFAOYSA-N
MW525.60 g/mol
LogP7.28
Rot. Bonds9

About 2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid

2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid (PubChem CID 10346756) has the molecular formula C35H27NO4 and a molecular weight of 525.60 g/mol. Its IUPAC name is 2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid
PubChem CID10346756
Molecular FormulaC35H27NO4
Molecular Weight525.60 g/mol
Exact Mass525.19
IUPAC Name2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Cn2cc(C(=O)c3cccc4ccccc34)c3cc(OCc4ccccc4)ccc32)cc1
InChIInChI=1S/C35H27NO4/c37-34(38)19-24-13-15-25(16-14-24)21-36-22-32(35(39)30-12-6-10-27-9-4-5-11-29(27)30)31-20-28(17-18-33(31)36)40-23-26-7-2-1-3-8-26/h1-18,20,22H,19,21,23H2,(H,37,38)
InChIKeyOEXARBJNOQARFV-UHFFFAOYSA-N
XLogP7.28
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.60
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid with MolForge

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Related Compounds

2-[1-benzyl-5-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]indol-3-yl]acetic acid
CID 122183538
2-[1-benzyl-5-[3-[3-[(4-fluorophenyl)methoxy]phenoxy]propoxy]indol-3-yl]acetic acid
CID 122183561
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
[1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone
CID 134811800
1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide
CID 59513975
1-(3-chloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]ethane-1,2-dione
CID 110169325
2-[1-benzyl-5-[3-(3-phenoxyphenoxy)propoxy]indol-3-yl]acetic acid
CID 122183553
2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde
CID 174442513
2-[(E)-[1-benzyl-5-[(3-chlorophenyl)methoxy]indol-3-yl]methylideneamino]oxyacetic acid
CID 57453327
2-[1-benzyl-5-(trifluoromethoxy)indol-3-yl]-2-oxoacetic acid
CID 10133300
N-(3-chloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide
CID 110167937
benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10667803

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid (CID 10346756) is 2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid is O=C(O)Cc1ccc(Cn2cc(C(=O)c3cccc4ccccc34)c3cc(OCc4ccccc4)ccc32)cc1.
What is the InChIKey of 2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid?
The InChIKey is OEXARBJNOQARFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27NO4/c37-34(38)19-24-13-15-25(16-14-24)21-36-22-32(35(39)30-12-6-10-27-9-4-5-11-29(27)30)31-20-28(17-18-33(31)36)40-23-26-7-2-1-3-8-26/h1-18,20,22H,19,21,23H2,(H,37,38).
What are the key properties of 2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid?
2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid has a molecular weight of 525.60 g/mol, XLogP of 7.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(naphthalene-1-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetic acid is sourced from PubChem (CID 10346756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).