6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole

C29H24ClNO2 — CID 151852928

IUPAC6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole
SMILESClc1cccc(Cc2cc(OCc3ccccc3)c3c(OCc4ccccc4)c[nH]c3c2)c1
InChIInChI=1S/C29H24ClNO2/c30-25-13-7-12-23(15-25)14-24-16-26-29(27(17-24)32-19-21-8-3-1-4-9-21)28(18-31-26)33-20-22-10-5-2-6-11-22/h1-13,15-18,31H,14,19-20H2
InChIKeySJBWHWZUTSJUQZ-UHFFFAOYSA-N
MW453.97 g/mol
LogP7.57
Rot. Bonds8

About 6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole

6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole (PubChem CID 151852928) has the molecular formula C29H24ClNO2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole
PubChem CID151852928
Molecular FormulaC29H24ClNO2
Molecular Weight453.97 g/mol
Exact Mass453.15
IUPAC Name6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole
SMILESClc1cccc(Cc2cc(OCc3ccccc3)c3c(OCc4ccccc4)c[nH]c3c2)c1
InChIInChI=1S/C29H24ClNO2/c30-25-13-7-12-23(15-25)14-24-16-26-29(27(17-24)32-19-21-8-3-1-4-9-21)28(18-31-26)33-20-22-10-5-2-6-11-22/h1-13,15-18,31H,14,19-20H2
InChIKeySJBWHWZUTSJUQZ-UHFFFAOYSA-N
XLogP7.57
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.97
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-cyclopropylethynyl)-3,4-bis(phenylmethoxy)-1H-indole
CID 151503347
6-(2-cyclopentylethynyl)-3,4-bis(phenylmethoxy)-1H-indole
CID 151304700
6-chloro-4-phenylmethoxy-1H-indole
CID 170993763
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
5-chloro-3-phenylmethoxy-1H-pyridin-2-one
CID 70036977
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride
CID 168946883
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 139225224
1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
CID 158905078
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole (CID 151852928) is 6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole is Clc1cccc(Cc2cc(OCc3ccccc3)c3c(OCc4ccccc4)c[nH]c3c2)c1.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole?
The InChIKey is SJBWHWZUTSJUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClNO2/c30-25-13-7-12-23(15-25)14-24-16-26-29(27(17-24)32-19-21-8-3-1-4-9-21)28(18-31-26)33-20-22-10-5-2-6-11-22/h1-13,15-18,31H,14,19-20H2.
What are the key properties of 6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole?
6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole has a molecular weight of 453.97 g/mol, XLogP of 7.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)-1H-indole is sourced from PubChem (CID 151852928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).