[4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid

C20H24NO5P — CID 66642905

IUPAC[4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid
SMILESCOc1ccc(Oc2c(C)c(C)cc3[nH]c(P(=O)(O)O)cc23)cc1C(C)C
InChIInChI=1S/C20H24NO5P/c1-11(2)15-9-14(6-7-18(15)25-5)26-20-13(4)12(3)8-17-16(20)10-19(21-17)27(22,23)24/h6-11,21H,1-5H3,(H2,22,23,24)
InChIKeyWDZLRBBIGUAPBI-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.51
Rot. Bonds5

About [4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid

[4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid (PubChem CID 66642905) has the molecular formula C20H24NO5P and a molecular weight of 389.39 g/mol. Its IUPAC name is [4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid.

Molecular Properties

Compound Name[4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid
PubChem CID66642905
Molecular FormulaC20H24NO5P
Molecular Weight389.39 g/mol
Exact Mass389.14
IUPAC Name[4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid
SMILESCOc1ccc(Oc2c(C)c(C)cc3[nH]c(P(=O)(O)O)cc23)cc1C(C)C
InChIInChI=1S/C20H24NO5P/c1-11(2)15-9-14(6-7-18(15)25-5)26-20-13(4)12(3)8-17-16(20)10-19(21-17)27(22,23)24/h6-11,21H,1-5H3,(H2,22,23,24)
InChIKeyWDZLRBBIGUAPBI-UHFFFAOYSA-N
XLogP4.51
TPSA91.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline
CID 11779514
diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate
CID 86626562
2-amino-N-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142030863
O-ethyl [4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]sulfanylmethanethioate
CID 10000485
1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)-4-nitrobenzene
CID 91056227
ethane;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methylphosphonic acid
CID 143340233
tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate
CID 142030848
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide
CID 165166271
4-[4-[dibromo(iodo)methyl]phenoxy]-1-methoxy-2-propan-2-ylbenzene
CID 154289347
2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene
CID 63429668
[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 155781686
2-[[3,5-dichloro-6-methoxy-4-(4-methoxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid
CID 20732348

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid?
The IUPAC name of [4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid (CID 66642905) is [4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid.
What is the SMILES notation for [4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid?
The canonical SMILES for [4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid is COc1ccc(Oc2c(C)c(C)cc3[nH]c(P(=O)(O)O)cc23)cc1C(C)C.
What is the InChIKey of [4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid?
The InChIKey is WDZLRBBIGUAPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24NO5P/c1-11(2)15-9-14(6-7-18(15)25-5)26-20-13(4)12(3)8-17-16(20)10-19(21-17)27(22,23)24/h6-11,21H,1-5H3,(H2,22,23,24).
What are the key properties of [4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid?
[4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid has a molecular weight of 389.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid is sourced from PubChem (CID 66642905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).