[3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol

C32H38O3 — CID 142367375

IUPAC[3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol
SMILESCC(C)COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCC2CC(CO)C2)cc1
InChIInChI=1S/C32H38O3/c1-22(2)20-34-29-13-15-31-27(18-29)10-14-30(25-6-4-3-5-7-25)32(31)26-8-11-28(12-9-26)35-21-24-16-23(17-24)19-33/h3-9,11-13,15,18,22-24,30,32-33H,10,14,16-17,19-21H2,1-2H3/t23?,24?,30-,32+/m1/s1
InChIKeyCAWXYKQNFYVMET-NZKFDPJVSA-N
MW470.65 g/mol
LogP6.98
Rot. Bonds9

About [3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol

[3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol (PubChem CID 142367375) has the molecular formula C32H38O3 and a molecular weight of 470.65 g/mol. Its IUPAC name is [3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol
PubChem CID142367375
Molecular FormulaC32H38O3
Molecular Weight470.65 g/mol
Exact Mass470.28
IUPAC Name[3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol
SMILESCC(C)COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCC2CC(CO)C2)cc1
InChIInChI=1S/C32H38O3/c1-22(2)20-34-29-13-15-31-27(18-29)10-14-30(25-6-4-3-5-7-25)32(31)26-8-11-28(12-9-26)35-21-24-16-23(17-24)19-33/h3-9,11-13,15,18,22-24,30,32-33H,10,14,16-17,19-21H2,1-2H3/t23?,24?,30-,32+/m1/s1
InChIKeyCAWXYKQNFYVMET-NZKFDPJVSA-N
XLogP6.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.65
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol 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

[(2S,5R)-5-[[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]oxolan-2-yl]methanol
CID 134579668
(5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134562590
[1-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methanol
CID 134579799
bromomethane;chloromethane;ethane;1-[4-(4-methylpentoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene
CID 142368175
5-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentane-1,3-diol
CID 134580274
[4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate
CID 146587686
4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butanal
CID 134582383
4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide
CID 142367448
tert-butyl 2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetate
CID 167478416
1-[2-[4-[(1R,2R)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]pyrrolidine
CID 12018054
1-bromo-5-[4-[(1R,2S)-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentan-2-ol
CID 159211827
methyl 4-oxo-5-[4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentanoate
CID 134579575

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol?
The IUPAC name of [3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol (CID 142367375) is [3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol.
What is the SMILES notation for [3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol?
The canonical SMILES for [3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol is CC(C)COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCC2CC(CO)C2)cc1.
What is the InChIKey of [3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol?
The InChIKey is CAWXYKQNFYVMET-NZKFDPJVSA-N. The full InChI is InChI=1S/C32H38O3/c1-22(2)20-34-29-13-15-31-27(18-29)10-14-30(25-6-4-3-5-7-25)32(31)26-8-11-28(12-9-26)35-21-24-16-23(17-24)19-33/h3-9,11-13,15,18,22-24,30,32-33H,10,14,16-17,19-21H2,1-2H3/t23?,24?,30-,32+/m1/s1.
What are the key properties of [3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol?
[3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol has a molecular weight of 470.65 g/mol, XLogP of 6.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol is sourced from PubChem (CID 142367375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).