(1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol

C36H36O4 — CID 139086519

IUPAC(1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol
SMILESCOc1ccc([C@@H]2C=C(C)c3ccccc3[C@@H]2O)cc1.COc1ccc([C@@H]2C=C(C)c3ccccc3[C@@H]2O)cc1
InChIInChI=1S/2C18H18O2/c2*1-12-11-17(13-7-9-14(20-2)10-8-13)18(19)16-6-4-3-5-15(12)16/h2*3-11,17-19H,1-2H3/t2*17-,18-/m00/s1
InChIKeyMOVXPPUQQNQRQH-VIIMOKPPSA-N
MW532.68 g/mol
LogP7.86
Rot. Bonds4

About (1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol

(1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol (PubChem CID 139086519) has the molecular formula C36H36O4 and a molecular weight of 532.68 g/mol. Its IUPAC name is (1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol
PubChem CID139086519
Molecular FormulaC36H36O4
Molecular Weight532.68 g/mol
Exact Mass532.26
IUPAC Name(1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol
SMILESCOc1ccc([C@@H]2C=C(C)c3ccccc3[C@@H]2O)cc1.COc1ccc([C@@H]2C=C(C)c3ccccc3[C@@H]2O)cc1
InChIInChI=1S/2C18H18O2/c2*1-12-11-17(13-7-9-14(20-2)10-8-13)18(19)16-6-4-3-5-15(12)16/h2*3-11,17-19H,1-2H3/t2*17-,18-/m00/s1
InChIKeyMOVXPPUQQNQRQH-VIIMOKPPSA-N
XLogP7.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 12694474
(1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol
CID 134970353
1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene
CID 132961670
4-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 141294884
1-bromo-2-(4-methoxyphenyl)-3-phenyl-1H-indene
CID 162400233
1-(4-methoxyphenyl)-3-phenyl-1H-indene
CID 101476128
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone
CID 135004359
6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499
(5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 10563844
(1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 23583974
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol (CID 139086519) is (1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol is COc1ccc([C@@H]2C=C(C)c3ccccc3[C@@H]2O)cc1.COc1ccc([C@@H]2C=C(C)c3ccccc3[C@@H]2O)cc1.
What is the InChIKey of (1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol?
The InChIKey is MOVXPPUQQNQRQH-VIIMOKPPSA-N. The full InChI is InChI=1S/2C18H18O2/c2*1-12-11-17(13-7-9-14(20-2)10-8-13)18(19)16-6-4-3-5-15(12)16/h2*3-11,17-19H,1-2H3/t2*17-,18-/m00/s1.
What are the key properties of (1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol?
(1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol has a molecular weight of 532.68 g/mol, XLogP of 7.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 139086519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).