4-[(2,3,5-trimethylindol-1-yl)methyl]phenol

C18H19NO — CID 143599776

IUPAC4-[(2,3,5-trimethylindol-1-yl)methyl]phenol
SMILESCc1ccc2c(c1)c(C)c(C)n2Cc1ccc(O)cc1
InChIInChI=1S/C18H19NO/c1-12-4-9-18-17(10-12)13(2)14(3)19(18)11-15-5-7-16(20)8-6-15/h4-10,20H,11H2,1-3H3
InChIKeyYKAMBVLXFANNKT-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.32
Rot. Bonds2

About 4-[(2,3,5-trimethylindol-1-yl)methyl]phenol

4-[(2,3,5-trimethylindol-1-yl)methyl]phenol (PubChem CID 143599776) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(2,3,5-trimethylindol-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2,3,5-trimethylindol-1-yl)methyl]phenol
PubChem CID143599776
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-[(2,3,5-trimethylindol-1-yl)methyl]phenol
SMILESCc1ccc2c(c1)c(C)c(C)n2Cc1ccc(O)cc1
InChIInChI=1S/C18H19NO/c1-12-4-9-18-17(10-12)13(2)14(3)19(18)11-15-5-7-16(20)8-6-15/h4-10,20H,11H2,1-3H3
InChIKeyYKAMBVLXFANNKT-UHFFFAOYSA-N
XLogP4.32
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol
CID 155579659
4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol
CID 143599748
1-benzyl-5-bromo-2,3-dimethylindole
CID 25228820
2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]acetic acid
CID 165351742
[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite
CID 166660979
9-[(4-fluorophenyl)methyl]-6-methylcarbazol-4-ol
CID 18671681
N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940314
5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 141136099
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
1-[[4-(2-carboxyphenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxylic acid
CID 155557717
1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 5235423

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,5-trimethylindol-1-yl)methyl]phenol?
The IUPAC name of 4-[(2,3,5-trimethylindol-1-yl)methyl]phenol (CID 143599776) is 4-[(2,3,5-trimethylindol-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(2,3,5-trimethylindol-1-yl)methyl]phenol?
The canonical SMILES for 4-[(2,3,5-trimethylindol-1-yl)methyl]phenol is Cc1ccc2c(c1)c(C)c(C)n2Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2,3,5-trimethylindol-1-yl)methyl]phenol?
The InChIKey is YKAMBVLXFANNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-4-9-18-17(10-12)13(2)14(3)19(18)11-15-5-7-16(20)8-6-15/h4-10,20H,11H2,1-3H3.
What are the key properties of 4-[(2,3,5-trimethylindol-1-yl)methyl]phenol?
4-[(2,3,5-trimethylindol-1-yl)methyl]phenol has a molecular weight of 265.36 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,5-trimethylindol-1-yl)methyl]phenol is sourced from PubChem (CID 143599776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).