(1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol

C13H14O2 — CID 69219656

IUPAC(1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol
SMILESCC=COC1=Cc2ccccc2[C@@H](O)C1
InChIInChI=1S/C13H14O2/c1-2-7-15-11-8-10-5-3-4-6-12(10)13(14)9-11/h2-8,13-14H,9H2,1H3/t13-/m0/s1
InChIKeyPKTHBWDZUDTYQA-ZDUSSCGKSA-N
MW202.25 g/mol
LogP3.01
Rot. Bonds2

About (1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol

(1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol (PubChem CID 69219656) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol
PubChem CID69219656
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol
SMILESCC=COC1=Cc2ccccc2[C@@H](O)C1
InChIInChI=1S/C13H14O2/c1-2-7-15-11-8-10-5-3-4-6-12(10)13(14)9-11/h2-8,13-14H,9H2,1H3/t13-/m0/s1
InChIKeyPKTHBWDZUDTYQA-ZDUSSCGKSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol (CID 69219656) is (1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol is CC=COC1=Cc2ccccc2[C@@H](O)C1.
What is the InChIKey of (1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol?
The InChIKey is PKTHBWDZUDTYQA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-7-15-11-8-10-5-3-4-6-12(10)13(14)9-11/h2-8,13-14H,9H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol?
(1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol has a molecular weight of 202.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 69219656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).