1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole

C30H27NO2 — CID 59014808

IUPAC1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole
SMILESCc1cn(Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c2ccccc12
InChIInChI=1S/C30H27NO2/c1-23-19-31(28-15-9-8-14-27(23)28)20-26-16-17-29(32-21-24-10-4-2-5-11-24)30(18-26)33-22-25-12-6-3-7-13-25/h2-19H,20-22H2,1H3
InChIKeyRMLUFCVZTZEMRF-UHFFFAOYSA-N
MW433.55 g/mol
LogP7.16
Rot. Bonds8

About 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole

1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole (PubChem CID 59014808) has the molecular formula C30H27NO2 and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole.

Molecular Properties

Compound Name1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole
PubChem CID59014808
Molecular FormulaC30H27NO2
Molecular Weight433.55 g/mol
Exact Mass433.20
IUPAC Name1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole
SMILESCc1cn(Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c2ccccc12
InChIInChI=1S/C30H27NO2/c1-23-19-31(28-15-9-8-14-27(23)28)20-26-16-17-29(32-21-24-10-4-2-5-11-24)30(18-26)33-22-25-12-6-3-7-13-25/h2-19H,20-22H2,1H3
InChIKeyRMLUFCVZTZEMRF-UHFFFAOYSA-N
XLogP7.16
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methylindole;ethane
CID 145343697
[2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine
CID 106785915
[4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine
CID 63889043
2-chloro-5-[(3-methylindol-1-yl)methyl]aniline
CID 43316655
3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 53474780
1-[[4-(2-bromoethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindole
CID 142647919
1-benzyl-3-methylindole;1,3-dioxolane
CID 23496284
3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
CID 83287646
1-benzyl-6-ethoxy-3-methylindole
CID 15128551
methyl 4-[(3-methylindol-1-yl)methyl]benzoate
CID 43316679
[1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium
CID 102432985
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205

Frequently Asked Questions

What is the IUPAC name of 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole?
The IUPAC name of 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole (CID 59014808) is 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole.
What is the SMILES notation for 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole?
The canonical SMILES for 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole is Cc1cn(Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c2ccccc12.
What is the InChIKey of 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole?
The InChIKey is RMLUFCVZTZEMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO2/c1-23-19-31(28-15-9-8-14-27(23)28)20-26-16-17-29(32-21-24-10-4-2-5-11-24)30(18-26)33-22-25-12-6-3-7-13-25/h2-19H,20-22H2,1H3.
What are the key properties of 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole?
1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole has a molecular weight of 433.55 g/mol, XLogP of 7.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole is sourced from PubChem (CID 59014808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).