4-[(4-propoxyindol-1-yl)methyl]phenol

C18H19NO2 — CID 83166122

IUPAC4-[(4-propoxyindol-1-yl)methyl]phenol
SMILESCCCOc1cccc2c1ccn2Cc1ccc(O)cc1
InChIInChI=1S/C18H19NO2/c1-2-12-21-18-5-3-4-17-16(18)10-11-19(17)13-14-6-8-15(20)9-7-14/h3-11,20H,2,12-13H2,1H3
InChIKeyRDQWFPUJZGOZFK-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.18
Rot. Bonds5

About 4-[(4-propoxyindol-1-yl)methyl]phenol

4-[(4-propoxyindol-1-yl)methyl]phenol (PubChem CID 83166122) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(4-propoxyindol-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-propoxyindol-1-yl)methyl]phenol
PubChem CID83166122
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-[(4-propoxyindol-1-yl)methyl]phenol
SMILESCCCOc1cccc2c1ccn2Cc1ccc(O)cc1
InChIInChI=1S/C18H19NO2/c1-2-12-21-18-5-3-4-17-16(18)10-11-19(17)13-14-6-8-15(20)9-7-14/h3-11,20H,2,12-13H2,1H3
InChIKeyRDQWFPUJZGOZFK-UHFFFAOYSA-N
XLogP4.18
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-propoxyindole
CID 83166118
1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole
CID 102879190
1-[(2-bromophenyl)methyl]-4-propoxyindole
CID 83166128
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575
3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole
CID 83174184
3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339
3-(4-propoxyindol-1-yl)propanamide
CID 83173818
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole
CID 83166124
1-(2-ethylsulfonylethyl)-4-propoxyindole
CID 83174266
1-(3-ethoxypropyl)-4-propoxyindole
CID 83173539
2-(4-propoxyindol-1-yl)acetohydrazide
CID 83163365

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propoxyindol-1-yl)methyl]phenol?
The IUPAC name of 4-[(4-propoxyindol-1-yl)methyl]phenol (CID 83166122) is 4-[(4-propoxyindol-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(4-propoxyindol-1-yl)methyl]phenol?
The canonical SMILES for 4-[(4-propoxyindol-1-yl)methyl]phenol is CCCOc1cccc2c1ccn2Cc1ccc(O)cc1.
What is the InChIKey of 4-[(4-propoxyindol-1-yl)methyl]phenol?
The InChIKey is RDQWFPUJZGOZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-12-21-18-5-3-4-17-16(18)10-11-19(17)13-14-6-8-15(20)9-7-14/h3-11,20H,2,12-13H2,1H3.
What are the key properties of 4-[(4-propoxyindol-1-yl)methyl]phenol?
4-[(4-propoxyindol-1-yl)methyl]phenol has a molecular weight of 281.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propoxyindol-1-yl)methyl]phenol is sourced from PubChem (CID 83166122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).