4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol

C15H15NO2 — CID 84737041

IUPAC4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol
SMILESCOc1ccc2c(c1)C(c1ccc(O)cc1)NC2
InChIInChI=1S/C15H15NO2/c1-18-13-7-4-11-9-16-15(14(11)8-13)10-2-5-12(17)6-3-10/h2-8,15-17H,9H2,1H3
InChIKeyRFWDBTYTUBJOEF-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.59
Rot. Bonds2

About 4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol

4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol (PubChem CID 84737041) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol.

Molecular Properties

Compound Name4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol
PubChem CID84737041
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol
SMILESCOc1ccc2c(c1)C(c1ccc(O)cc1)NC2
InChIInChI=1S/C15H15NO2/c1-18-13-7-4-11-9-16-15(14(11)8-13)10-2-5-12(17)6-3-10/h2-8,15-17H,9H2,1H3
InChIKeyRFWDBTYTUBJOEF-UHFFFAOYSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-2,3-dihydro-1H-isoindol-5-ol
CID 84734566
6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 84737148
1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543727
4-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115715635
1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole
CID 84735923
1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole
CID 65042203
[(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 130682443
4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol
CID 70854583
methane;4-methoxyphenol
CID 159494332
4-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96977662
4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 163756216
(4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169269

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol?
The IUPAC name of 4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol (CID 84737041) is 4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol.
What is the SMILES notation for 4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol?
The canonical SMILES for 4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol is COc1ccc2c(c1)C(c1ccc(O)cc1)NC2.
What is the InChIKey of 4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol?
The InChIKey is RFWDBTYTUBJOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-18-13-7-4-11-9-16-15(14(11)8-13)10-2-5-12(17)6-3-10/h2-8,15-17H,9H2,1H3.
What are the key properties of 4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol?
4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol has a molecular weight of 241.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol is sourced from PubChem (CID 84737041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).