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

C13H16O2 — CID 102051158

IUPAC(2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESC=CCO[C@@H]1Cc2ccccc2C[C@@H]1O
InChIInChI=1S/C13H16O2/c1-2-7-15-13-9-11-6-4-3-5-10(11)8-12(13)14/h2-6,12-14H,1,7-9H2/t12-,13+/m0/s1
InChIKeyUYCGTIGTDNIYHT-QWHCGFSZSA-N
MW204.27 g/mol
LogP1.72
Rot. Bonds3

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

(2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 102051158) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID102051158
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESC=CCO[C@@H]1Cc2ccccc2C[C@@H]1O
InChIInChI=1S/C13H16O2/c1-2-7-15-13-9-11-6-4-3-5-10(11)8-12(13)14/h2-6,12-14H,1,7-9H2/t12-,13+/m0/s1
InChIKeyUYCGTIGTDNIYHT-QWHCGFSZSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.72
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 (2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol (CID 102051158) is (2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol is C=CCO[C@@H]1Cc2ccccc2C[C@@H]1O.
What is the InChIKey of (2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is UYCGTIGTDNIYHT-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-7-15-13-9-11-6-4-3-5-10(11)8-12(13)14/h2-6,12-14H,1,7-9H2/t12-,13+/m0/s1.
What are the key properties of (2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
(2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 204.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 102051158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).