5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol

C30H31NO3 — CID 146428238

IUPAC5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol
SMILESCCC1CN(CCOc2ccc(Oc3c(-c4ccc(C)cc4)ccc4cc(O)ccc34)cc2)C1
InChIInChI=1S/C30H31NO3/c1-3-22-19-31(20-22)16-17-33-26-10-12-27(13-11-26)34-30-28(23-6-4-21(2)5-7-23)14-8-24-18-25(32)9-15-29(24)30/h4-15,18,22,32H,3,16-17,19-20H2,1-2H3
InChIKeyHMQVWJVTWGVLRK-UHFFFAOYSA-N
MW453.58 g/mol
LogP7.03
Rot. Bonds8

About 5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol

5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol (PubChem CID 146428238) has the molecular formula C30H31NO3 and a molecular weight of 453.58 g/mol. Its IUPAC name is 5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol
PubChem CID146428238
Molecular FormulaC30H31NO3
Molecular Weight453.58 g/mol
Exact Mass453.23
IUPAC Name5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol
SMILESCCC1CN(CCOc2ccc(Oc3c(-c4ccc(C)cc4)ccc4cc(O)ccc34)cc2)C1
InChIInChI=1S/C30H31NO3/c1-3-22-19-31(20-22)16-17-33-26-10-12-27(13-11-26)34-30-28(23-6-4-21(2)5-7-23)14-8-24-18-25(32)9-15-29(24)30/h4-15,18,22,32H,3,16-17,19-20H2,1-2H3
InChIKeyHMQVWJVTWGVLRK-UHFFFAOYSA-N
XLogP7.03
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.58
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)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

5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylsulfonylphenyl)naphthalen-2-ol
CID 122631776
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
6-(5-methylthiophen-3-yl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 58338573
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol
CID 10053779
butanedioic acid;6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 68516743
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-thiophen-3-ylnaphthalen-2-ol
CID 58338597
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]naphthalen-2-ol;hydrochloride
CID 68519458
6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
CID 68520285
2-[2-[(2R,5S)-4-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]-2,5-dimethylpiperazin-1-yl]ethoxy]acetic acid;hydrochloride
CID 171446882
2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide
CID 58878023
5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one
CID 11504179

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol?
The IUPAC name of 5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol (CID 146428238) is 5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol.
What is the SMILES notation for 5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol?
The canonical SMILES for 5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol is CCC1CN(CCOc2ccc(Oc3c(-c4ccc(C)cc4)ccc4cc(O)ccc34)cc2)C1.
What is the InChIKey of 5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol?
The InChIKey is HMQVWJVTWGVLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO3/c1-3-22-19-31(20-22)16-17-33-26-10-12-27(13-11-26)34-30-28(23-6-4-21(2)5-7-23)14-8-24-18-25(32)9-15-29(24)30/h4-15,18,22,32H,3,16-17,19-20H2,1-2H3.
What are the key properties of 5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol?
5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol has a molecular weight of 453.58 g/mol, XLogP of 7.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylphenyl)naphthalen-2-ol is sourced from PubChem (CID 146428238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).