6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol

C22H27NO2 — CID 142653865

IUPAC6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol
SMILESCOc1ccc(Cn2c(CCCCCCO)cc3ccccc32)cc1
InChIInChI=1S/C22H27NO2/c1-25-21-13-11-18(12-14-21)17-23-20(9-4-2-3-7-15-24)16-19-8-5-6-10-22(19)23/h5-6,8,10-14,16,24H,2-4,7,9,15,17H2,1H3
InChIKeyWABYYRQXQKLCSQ-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.79
Rot. Bonds9

About 6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol

6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol (PubChem CID 142653865) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol
PubChem CID142653865
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol
SMILESCOc1ccc(Cn2c(CCCCCCO)cc3ccccc32)cc1
InChIInChI=1S/C22H27NO2/c1-25-21-13-11-18(12-14-21)17-23-20(9-4-2-3-7-15-24)16-19-8-5-6-10-22(19)23/h5-6,8,10-14,16,24H,2-4,7,9,15,17H2,1H3
InChIKeyWABYYRQXQKLCSQ-UHFFFAOYSA-N
XLogP4.79
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-benzylindol-2-yl)propan-1-amine
CID 115107392
N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide
CID 10829677
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400
N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide
CID 10892626
methyl 2-(1-benzylindol-2-yl)acetate
CID 165356079
N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 123844752
5-(3-methoxycarbazol-9-yl)pentan-1-ol
CID 153297193
6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol
CID 177375660
methyl 1-benzyl-2-(2-hydroxyethyl)indole-6-carboxylate
CID 90133591
1-benzyl-2-(5-methoxy-2-pyridinyl)indole
CID 157451859

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol?
The IUPAC name of 6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol (CID 142653865) is 6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol.
What is the SMILES notation for 6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol?
The canonical SMILES for 6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol is COc1ccc(Cn2c(CCCCCCO)cc3ccccc32)cc1.
What is the InChIKey of 6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol?
The InChIKey is WABYYRQXQKLCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-25-21-13-11-18(12-14-21)17-23-20(9-4-2-3-7-15-24)16-19-8-5-6-10-22(19)23/h5-6,8,10-14,16,24H,2-4,7,9,15,17H2,1H3.
What are the key properties of 6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol?
6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol has a molecular weight of 337.46 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol is sourced from PubChem (CID 142653865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).