2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol

C18H19NO3 — CID 117180764

IUPAC2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol
SMILESCC(C)n1c(COc2ccc(O)cc2)cc2ccc(O)cc21
InChIInChI=1S/C18H19NO3/c1-12(2)19-14(9-13-3-4-16(21)10-18(13)19)11-22-17-7-5-15(20)6-8-17/h3-10,12,20-21H,11H2,1-2H3
InChIKeySXLKYNUOQAFUGF-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.21
Rot. Bonds4

About 2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol

2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol (PubChem CID 117180764) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol.

Molecular Properties

Compound Name2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol
PubChem CID117180764
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol
SMILESCC(C)n1c(COc2ccc(O)cc2)cc2ccc(O)cc21
InChIInChI=1S/C18H19NO3/c1-12(2)19-14(9-13-3-4-16(21)10-18(13)19)11-22-17-7-5-15(20)6-8-17/h3-10,12,20-21H,11H2,1-2H3
InChIKeySXLKYNUOQAFUGF-UHFFFAOYSA-N
XLogP4.21
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol?
The IUPAC name of 2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol (CID 117180764) is 2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol.
What is the SMILES notation for 2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol?
The canonical SMILES for 2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol is CC(C)n1c(COc2ccc(O)cc2)cc2ccc(O)cc21.
What is the InChIKey of 2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol?
The InChIKey is SXLKYNUOQAFUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12(2)19-14(9-13-3-4-16(21)10-18(13)19)11-22-17-7-5-15(20)6-8-17/h3-10,12,20-21H,11H2,1-2H3.
What are the key properties of 2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol?
2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol has a molecular weight of 297.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol is sourced from PubChem (CID 117180764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).