ethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate

C26H24FNO6 — CID 67622122

IUPACethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate
SMILESCCOC(=O)Oc1[nH]c2cc(OCc3ccccc3)c(OC)cc2c1-c1ccc(OC)c(F)c1
InChIInChI=1S/C26H24FNO6/c1-4-32-26(29)34-25-24(17-10-11-21(30-2)19(27)12-17)18-13-22(31-3)23(14-20(18)28-25)33-15-16-8-6-5-7-9-16/h5-14,28H,4,15H2,1-3H3
InChIKeyOLSGACMGMIKWML-UHFFFAOYSA-N
MW465.48 g/mol
LogP6.11
Rot. Bonds8

About ethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate

ethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate (PubChem CID 67622122) has the molecular formula C26H24FNO6 and a molecular weight of 465.48 g/mol. Its IUPAC name is ethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate.

Molecular Properties

Compound Nameethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate
PubChem CID67622122
Molecular FormulaC26H24FNO6
Molecular Weight465.48 g/mol
Exact Mass465.16
IUPAC Nameethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate
SMILESCCOC(=O)Oc1[nH]c2cc(OCc3ccccc3)c(OC)cc2c1-c1ccc(OC)c(F)c1
InChIInChI=1S/C26H24FNO6/c1-4-32-26(29)34-25-24(17-10-11-21(30-2)19(27)12-17)18-13-22(31-3)23(14-20(18)28-25)33-15-16-8-6-5-7-9-16/h5-14,28H,4,15H2,1-3H3
InChIKeyOLSGACMGMIKWML-UHFFFAOYSA-N
XLogP6.11
TPSA79.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl [3-(3-fluoro-4-methoxyphenyl)-5-propoxy-1H-indol-2-yl] carbonate
CID 67622626
[3-(2,1,3-benzothiadiazol-5-yl)-5-methoxy-1-[(2-methoxyphenyl)methyl]-6-phenylmethoxyindol-2-yl] ethyl carbonate
CID 67622376
6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione
CID 11185633
2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol
CID 23538563
5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599822
ethyl 2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoacetate
CID 117486957
6-fluoro-2-methyl-7-phenylmethoxy-1H-quinolin-4-one
CID 22641455
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
ethyl (E)-3-(3-methoxy-4-phenylmethoxyphenyl)but-2-enoate
CID 23087678
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
CID 73013799

Frequently Asked Questions

What is the IUPAC name of ethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate?
The IUPAC name of ethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate (CID 67622122) is ethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate.
What is the SMILES notation for ethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate?
The canonical SMILES for ethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate is CCOC(=O)Oc1[nH]c2cc(OCc3ccccc3)c(OC)cc2c1-c1ccc(OC)c(F)c1.
What is the InChIKey of ethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate?
The InChIKey is OLSGACMGMIKWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO6/c1-4-32-26(29)34-25-24(17-10-11-21(30-2)19(27)12-17)18-13-22(31-3)23(14-20(18)28-25)33-15-16-8-6-5-7-9-16/h5-14,28H,4,15H2,1-3H3.
What are the key properties of ethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate?
ethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate has a molecular weight of 465.48 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-phenylmethoxy-1H-indol-2-yl] carbonate is sourced from PubChem (CID 67622122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).