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

C20H22O2 — CID 23583974

IUPAC(1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESC=C[C@H]1[C@H](c2ccc(OC)cc2)c2ccccc2[C@@H](O)[C@H]1C
InChIInChI=1S/C20H22O2/c1-4-16-13(2)20(21)18-8-6-5-7-17(18)19(16)14-9-11-15(22-3)12-10-14/h4-13,16,19-21H,1H2,2-3H3/t13-,16+,19-,20-/m0/s1
InChIKeyYUDLATQAYYAANG-MVHCQYFOSA-N
MW294.39 g/mol
LogP4.31
Rot. Bonds3

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

(1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 23583974) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID23583974
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESC=C[C@H]1[C@H](c2ccc(OC)cc2)c2ccccc2[C@@H](O)[C@H]1C
InChIInChI=1S/C20H22O2/c1-4-16-13(2)20(21)18-8-6-5-7-17(18)19(16)14-9-11-15(22-3)12-10-14/h4-13,16,19-21H,1H2,2-3H3/t13-,16+,19-,20-/m0/s1
InChIKeyYUDLATQAYYAANG-MVHCQYFOSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 23583974) is (1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is C=C[C@H]1[C@H](c2ccc(OC)cc2)c2ccccc2[C@@H](O)[C@H]1C.
What is the InChIKey of (1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is YUDLATQAYYAANG-MVHCQYFOSA-N. The full InChI is InChI=1S/C20H22O2/c1-4-16-13(2)20(21)18-8-6-5-7-17(18)19(16)14-9-11-15(22-3)12-10-14/h4-13,16,19-21H,1H2,2-3H3/t13-,16+,19-,20-/m0/s1.
What are the key properties of (1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 294.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 23583974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).