8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole

C24H28ClNO2 — CID 174925802

IUPAC8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole
SMILESCCC1CCCc2c1c1c(OC)ccc(Cl)c1n2CCOCc1ccccc1
InChIInChI=1S/C24H28ClNO2/c1-3-18-10-7-11-20-22(18)23-21(27-2)13-12-19(25)24(23)26(20)14-15-28-16-17-8-5-4-6-9-17/h4-6,8-9,12-13,18H,3,7,10-11,14-16H2,1-2H3
InChIKeyIHVRULUVHNMOMQ-UHFFFAOYSA-N
MW397.95 g/mol
LogP6.35
Rot. Bonds7

About 8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole

8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole (PubChem CID 174925802) has the molecular formula C24H28ClNO2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole
PubChem CID174925802
Molecular FormulaC24H28ClNO2
Molecular Weight397.95 g/mol
Exact Mass397.18
IUPAC Name8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole
SMILESCCC1CCCc2c1c1c(OC)ccc(Cl)c1n2CCOCc1ccccc1
InChIInChI=1S/C24H28ClNO2/c1-3-18-10-7-11-20-22(18)23-21(27-2)13-12-19(25)24(23)26(20)14-15-28-16-17-8-5-4-6-9-17/h4-6,8-9,12-13,18H,3,7,10-11,14-16H2,1-2H3
InChIKeyIHVRULUVHNMOMQ-UHFFFAOYSA-N
XLogP6.35
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.95
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-benzyl-4-chloro-1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboxylate
CID 21055274
9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 66679594
(8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
CID 84742511
2-(9-benzyl-5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-4-yl)acetamide
CID 139893616
2-(2-phenylmethoxyethyl)cyclohexan-1-one
CID 561952
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
N-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 66537119
2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 157014112
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole (CID 174925802) is 8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole is CCC1CCCc2c1c1c(OC)ccc(Cl)c1n2CCOCc1ccccc1.
What is the InChIKey of 8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole?
The InChIKey is IHVRULUVHNMOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClNO2/c1-3-18-10-7-11-20-22(18)23-21(27-2)13-12-19(25)24(23)26(20)14-15-28-16-17-8-5-4-6-9-17/h4-6,8-9,12-13,18H,3,7,10-11,14-16H2,1-2H3.
What are the key properties of 8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole?
8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole has a molecular weight of 397.95 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-ethyl-5-methoxy-9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 174925802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).