2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol

C23H20ClNO2 — CID 122215370

IUPAC2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol
SMILESCOc1ccc([C@](C)(c2ccccc2O)c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C23H20ClNO2/c1-23(19-5-3-4-6-22(19)26,15-7-10-17(27-2)11-8-15)20-14-25-21-13-16(24)9-12-18(20)21/h3-14,25-26H,1-2H3/t23-/m1/s1
InChIKeyJBBGCLWKVIETCT-HSZRJFAPSA-N
MW377.87 g/mol
LogP5.89
Rot. Bonds4

About 2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol

2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol (PubChem CID 122215370) has the molecular formula C23H20ClNO2 and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol
PubChem CID122215370
Molecular FormulaC23H20ClNO2
Molecular Weight377.87 g/mol
Exact Mass377.12
IUPAC Name2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol
SMILESCOc1ccc([C@](C)(c2ccccc2O)c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C23H20ClNO2/c1-23(19-5-3-4-6-22(19)26,15-7-10-17(27-2)11-8-15)20-14-25-21-13-16(24)9-12-18(20)21/h3-14,25-26H,1-2H3/t23-/m1/s1
InChIKeyJBBGCLWKVIETCT-HSZRJFAPSA-N
XLogP5.89
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.87
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethan-1-amine
CID 3124849
4-{1-[4-(5-Methoxy-1H-indol-3-yl)-butyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-phenol
CID 44396390
5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-butyl}-1H-indole
CID 44396409
N-(4-methoxybenzyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]amine
CID 2989597
N-(4-chlorobenzyl)-2-(5-methoxy-1H-indol-3-yl)ethanamine
CID 5200316
3-Chloro-8-methoxy-11H-indolo[3,2-c]quinoline
CID 5378164
3-{4-[4-(2-Methoxy-phenyl)-piperidin-1-yl]-butyl}-1H-indole
CID 10338706
5-chloro-6-(4-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11703401
5-chloro-6-(6-methoxy-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 25167502
4-(4-chlorophenyl)-1-((5-methoxy-1H-indol-3-yl)methyl)piperidin-4-ol
CID 49798878
5-methoxy-3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 155521049
3-chlorophenyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749590

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol?
The IUPAC name of 2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol (CID 122215370) is 2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol?
The canonical SMILES for 2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol is COc1ccc([C@](C)(c2ccccc2O)c2c[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of 2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol?
The InChIKey is JBBGCLWKVIETCT-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H20ClNO2/c1-23(19-5-3-4-6-22(19)26,15-7-10-17(27-2)11-8-15)20-14-25-21-13-16(24)9-12-18(20)21/h3-14,25-26H,1-2H3/t23-/m1/s1.
What are the key properties of 2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol?
2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol has a molecular weight of 377.87 g/mol, XLogP of 5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol is sourced from PubChem (CID 122215370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).