(1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol

C17H16O2 — CID 15402081

IUPAC(1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol
SMILESCOc1cccc([C@H]2C=Cc3ccccc3[C@H]2O)c1
InChIInChI=1S/C17H16O2/c1-19-14-7-4-6-13(11-14)16-10-9-12-5-2-3-8-15(12)17(16)18/h2-11,16-18H,1H3/t16-,17-/m1/s1
InChIKeyJHOVCRPDUGKGEF-IAGOWNOFSA-N
MW252.31 g/mol
LogP3.54
Rot. Bonds2

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

(1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol (PubChem CID 15402081) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol
PubChem CID15402081
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol
SMILESCOc1cccc([C@H]2C=Cc3ccccc3[C@H]2O)c1
InChIInChI=1S/C17H16O2/c1-19-14-7-4-6-13(11-14)16-10-9-12-5-2-3-8-15(12)17(16)18/h2-11,16-18H,1H3/t16-,17-/m1/s1
InChIKeyJHOVCRPDUGKGEF-IAGOWNOFSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol
CID 132579451
(1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol
CID 132579460
methyl 4-[(1S,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]benzoate
CID 177385810
2-(4-chlorophenyl)-1,2-dihydronaphthalen-1-ol
CID 174973723
(1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol
CID 177386861
(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10587055
dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene
CID 174442019
(1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol
CID 102499485
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene
CID 101067794
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
1-methoxy-3-(3-methylidenecyclobutyl)benzene
CID 156818546

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol (CID 15402081) is (1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol is COc1cccc([C@H]2C=Cc3ccccc3[C@H]2O)c1.
What is the InChIKey of (1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol?
The InChIKey is JHOVCRPDUGKGEF-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H16O2/c1-19-14-7-4-6-13(11-14)16-10-9-12-5-2-3-8-15(12)17(16)18/h2-11,16-18H,1H3/t16-,17-/m1/s1.
What are the key properties of (1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol?
(1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol has a molecular weight of 252.31 g/mol, XLogP of 3.54, 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-dihydronaphthalen-1-ol is sourced from PubChem (CID 15402081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).