4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole

C19H20ClNO — CID 57111657

IUPAC4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole
SMILESCCc1c(C)[nH]c2ccc(OC)c(Cc3ccc(Cl)cc3)c12
InChIInChI=1S/C19H20ClNO/c1-4-15-12(2)21-17-9-10-18(22-3)16(19(15)17)11-13-5-7-14(20)8-6-13/h5-10,21H,4,11H2,1-3H3
InChIKeyNNUDSWYAVDZBRQ-UHFFFAOYSA-N
MW313.83 g/mol
LogP5.29
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole

4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole (PubChem CID 57111657) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole
PubChem CID57111657
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole
SMILESCCc1c(C)[nH]c2ccc(OC)c(Cc3ccc(Cl)cc3)c12
InChIInChI=1S/C19H20ClNO/c1-4-15-12(2)21-17-9-10-18(22-3)16(19(15)17)11-13-5-7-14(20)8-6-13/h5-10,21H,4,11H2,1-3H3
InChIKeyNNUDSWYAVDZBRQ-UHFFFAOYSA-N
XLogP5.29
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-[4-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl]ethoxyamino]prop-2-en-1-ol
CID 57164142
(4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol
CID 70164757
2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine
CID 82393219
2-[5-methoxy-2-methyl-4-(2,4,6-trichlorobenzoyl)-1H-indol-3-yl]acetic acid
CID 19919980
5-methoxy-2,3-dimethyl-1H-indol-4-amine
CID 84771527
4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole
CID 145463036
5-[(4-chlorophenyl)methyl]-4,6-dimethyl-1H-pyrimidine-2-thione
CID 54287133
5-[(4-chlorophenyl)methyl]-2,6-dimethyl-1H-pyrimidine-4-thione
CID 16642971
2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136779002
1-chloro-2-ethyl-4-methoxy-3-methylbenzene
CID 118491478
2-(4-chloro-5-methoxy-2-methyl-1H-indol-3-yl)butanoic acid
CID 67243433
3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine
CID 96678727

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole (CID 57111657) is 4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole is CCc1c(C)[nH]c2ccc(OC)c(Cc3ccc(Cl)cc3)c12.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole?
The InChIKey is NNUDSWYAVDZBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-4-15-12(2)21-17-9-10-18(22-3)16(19(15)17)11-13-5-7-14(20)8-6-13/h5-10,21H,4,11H2,1-3H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole?
4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole has a molecular weight of 313.83 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-3-ethyl-5-methoxy-2-methyl-1H-indole is sourced from PubChem (CID 57111657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).