3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol

C15H17NO2 — CID 70328424

IUPAC3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol
SMILESCOC1=CCC(C2C=CC=C3NC=CC32)C=C1O
InChIInChI=1S/C15H17NO2/c1-18-15-6-5-10(9-14(15)17)11-3-2-4-13-12(11)7-8-16-13/h2-4,6-12,16-17H,5H2,1H3
InChIKeyMROTXNYUWNFNAU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.78
Rot. Bonds2

About 3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol

3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol (PubChem CID 70328424) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol
PubChem CID70328424
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol
SMILESCOC1=CCC(C2C=CC=C3NC=CC32)C=C1O
InChIInChI=1S/C15H17NO2/c1-18-15-6-5-10(9-14(15)17)11-3-2-4-13-12(11)7-8-16-13/h2-4,6-12,16-17H,5H2,1H3
InChIKeyMROTXNYUWNFNAU-UHFFFAOYSA-N
XLogP2.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol?
The IUPAC name of 3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol (CID 70328424) is 3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol is COC1=CCC(C2C=CC=C3NC=CC32)C=C1O.
What is the InChIKey of 3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol?
The InChIKey is MROTXNYUWNFNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-18-15-6-5-10(9-14(15)17)11-3-2-4-13-12(11)7-8-16-13/h2-4,6-12,16-17H,5H2,1H3.
What are the key properties of 3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol?
3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3a,4-dihydro-1H-indol-4-yl)-6-methoxycyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 70328424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).