(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C17H18O2 — CID 10587055

IUPAC(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1cccc([C@H]2CCc3ccccc3[C@H]2O)c1
InChIInChI=1S/C17H18O2/c1-19-14-7-4-6-13(11-14)16-10-9-12-5-2-3-8-15(12)17(16)18/h2-8,11,16-18H,9-10H2,1H3/t16-,17-/m1/s1
InChIKeyDIHVSWLQMKQHBN-IAGOWNOFSA-N
MW254.33 g/mol
LogP3.46
Rot. Bonds2

About (1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol

(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 10587055) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID10587055
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1cccc([C@H]2CCc3ccccc3[C@H]2O)c1
InChIInChI=1S/C17H18O2/c1-19-14-7-4-6-13(11-14)16-10-9-12-5-2-3-8-15(12)17(16)18/h2-8,11,16-18H,9-10H2,1H3/t16-,17-/m1/s1
InChIKeyDIHVSWLQMKQHBN-IAGOWNOFSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 10563844
(1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 125482572
(1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 125482732
(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 7010656
2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine
CID 65412498
(1S,2R)-7-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 125482901
2-chloro-N-[(1S,2S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylacetamide
CID 67852325
2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13275748
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
(1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol
CID 15402081
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 10587055) is (1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol is COc1cccc([C@H]2CCc3ccccc3[C@H]2O)c1.
What is the InChIKey of (1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is DIHVSWLQMKQHBN-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H18O2/c1-19-14-7-4-6-13(11-14)16-10-9-12-5-2-3-8-15(12)17(16)18/h2-8,11,16-18H,9-10H2,1H3/t16-,17-/m1/s1.
What are the key properties of (1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 10587055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).