7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol

C21H21NO2 — CID 95150098

IUPAC7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol
SMILESCOc1ccc2ccc(O)c(CN3CC[C@H]3c3ccccc3)c2c1
InChIInChI=1S/C21H21NO2/c1-24-17-9-7-15-8-10-21(23)19(18(15)13-17)14-22-12-11-20(22)16-5-3-2-4-6-16/h2-10,13,20,23H,11-12,14H2,1H3/t20-/m0/s1
InChIKeyMLPPJNZCJSTOEZ-FQEVSTJZSA-N
MW319.40 g/mol
LogP4.50
Rot. Bonds4

About 7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol

7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol (PubChem CID 95150098) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol
PubChem CID95150098
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol
SMILESCOc1ccc2ccc(O)c(CN3CC[C@H]3c3ccccc3)c2c1
InChIInChI=1S/C21H21NO2/c1-24-17-9-7-15-8-10-21(23)19(18(15)13-17)14-22-12-11-20(22)16-5-3-2-4-6-16/h2-10,13,20,23H,11-12,14H2,1H3/t20-/m0/s1
InChIKeyMLPPJNZCJSTOEZ-FQEVSTJZSA-N
XLogP4.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-1-[(4-phenylpiperazin-1-yl)methyl]naphthalen-2-ol
CID 2672003
(2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine
CID 99928005
7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2672032
1-[4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 75412809
1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55865729
1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol
CID 34894357
methyl (2R)-4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]thiomorpholine-2-carboxylate
CID 9233693
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol
CID 26031863
1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methoxynaphthalen-2-ol
CID 7911135
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 9325307
1-benzyl-2-(4-methoxyphenyl)piperidin-4-ol;hydrochloride
CID 158556619
[1-benzyl-2-(4-methoxyphenyl)piperidin-4-yl]methanol
CID 154394421

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol?
The IUPAC name of 7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol (CID 95150098) is 7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol is COc1ccc2ccc(O)c(CN3CC[C@H]3c3ccccc3)c2c1.
What is the InChIKey of 7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol?
The InChIKey is MLPPJNZCJSTOEZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21NO2/c1-24-17-9-7-15-8-10-21(23)19(18(15)13-17)14-22-12-11-20(22)16-5-3-2-4-6-16/h2-10,13,20,23H,11-12,14H2,1H3/t20-/m0/s1.
What are the key properties of 7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol?
7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol has a molecular weight of 319.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[[(2S)-2-phenylazetidin-1-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 95150098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).