3-(1,3-dihydroisoindol-2-yl)phenol

C14H13NO — CID 687968

IUPAC3-(1,3-dihydroisoindol-2-yl)phenol
SMILESOc1cccc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C14H13NO/c16-14-7-3-6-13(8-14)15-9-11-4-1-2-5-12(11)10-15/h1-8,16H,9-10H2
InChIKeyNDJBHFYAKXHUEI-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.91
Rot. Bonds1

About 3-(1,3-dihydroisoindol-2-yl)phenol

3-(1,3-dihydroisoindol-2-yl)phenol (PubChem CID 687968) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)phenol.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)phenol
PubChem CID687968
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-(1,3-dihydroisoindol-2-yl)phenol
SMILESOc1cccc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C14H13NO/c16-14-7-3-6-13(8-14)15-9-11-4-1-2-5-12(11)10-15/h1-8,16H,9-10H2
InChIKeyNDJBHFYAKXHUEI-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Benzyl-piperazin-1-yl)-phenol
CID 10015867
3-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850462
4-(1,3-dihydro-2H-isoindol-2-yl)phenol
CID 753342
2,3-dihydro-1H-indol-4-ol hydrochloride
CID 71461077
3-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850463
3-[(2S,5R)-2,5-dimethyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 53355391
3-[4-(3-Phenylpropyl)piperazin-1-yl]phenol
CID 54581113
3-[(2S,5S)-2,5-dimethyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 54583091
3-[(2R,5S)-2,5-dimethyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 54585037
3-[(2S,6S)-2,6-dimethyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 54584095
3-[Methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride
CID 90656697
Ammonium, benzyldimethyl(3-hydroxyphenyl)-, bromide
CID 46780

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)phenol?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)phenol (CID 687968) is 3-(1,3-dihydroisoindol-2-yl)phenol.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)phenol?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)phenol is Oc1cccc(N2Cc3ccccc3C2)c1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)phenol?
The InChIKey is NDJBHFYAKXHUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c16-14-7-3-6-13(8-14)15-9-11-4-1-2-5-12(11)10-15/h1-8,16H,9-10H2.
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)phenol?
3-(1,3-dihydroisoindol-2-yl)phenol has a molecular weight of 211.26 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)phenol is sourced from PubChem (CID 687968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).