6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole

C19H20ClNO — CID 117180665

IUPAC6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole
SMILESCc1ccccc1OCc1cc2ccc(Cl)cc2n1C(C)C
InChIInChI=1S/C19H20ClNO/c1-13(2)21-17(10-15-8-9-16(20)11-18(15)21)12-22-19-7-5-4-6-14(19)3/h4-11,13H,12H2,1-3H3
InChIKeyHILPWVYCHZQDIG-UHFFFAOYSA-N
MW313.83 g/mol
LogP5.76
Rot. Bonds4

About 6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole

6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole (PubChem CID 117180665) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole.

Molecular Properties

Compound Name6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole
PubChem CID117180665
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole
SMILESCc1ccccc1OCc1cc2ccc(Cl)cc2n1C(C)C
InChIInChI=1S/C19H20ClNO/c1-13(2)21-17(10-15-8-9-16(20)11-18(15)21)12-22-19-7-5-4-6-14(19)3/h4-11,13H,12H2,1-3H3
InChIKeyHILPWVYCHZQDIG-UHFFFAOYSA-N
XLogP5.76
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117180731
5-chloro-1-methyl-2-[(2-methylphenoxy)methyl]indole
CID 117176704
2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173824
5-chloro-2-[(4-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117177290
2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol
CID 117180764
3-[(6-fluoro-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117180729
3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117186036
O-[(1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194314
2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117180699
7-chloro-3-[(2-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256505
2-(ethoxymethyl)-6-methyl-1-propan-2-ylindole
CID 117186061
6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46310244

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole?
The IUPAC name of 6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole (CID 117180665) is 6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole.
What is the SMILES notation for 6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole?
The canonical SMILES for 6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole is Cc1ccccc1OCc1cc2ccc(Cl)cc2n1C(C)C.
What is the InChIKey of 6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole?
The InChIKey is HILPWVYCHZQDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-13(2)21-17(10-15-8-9-16(20)11-18(15)21)12-22-19-7-5-4-6-14(19)3/h4-11,13H,12H2,1-3H3.
What are the key properties of 6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole?
6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole has a molecular weight of 313.83 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole is sourced from PubChem (CID 117180665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).