(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol

C18H18O — CID 101177740

IUPAC(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol
SMILESO[C@@H]1c2ccccc2C=C[C@@H]1C#CC1=CCCCC1
InChIInChI=1S/C18H18O/c19-18-16(11-10-14-6-2-1-3-7-14)13-12-15-8-4-5-9-17(15)18/h4-6,8-9,12-13,16,18-19H,1-3,7H2/t16-,18-/m0/s1
InChIKeyVUOOPVFGZBGSGV-WMZOPIPTSA-N
MW250.34 g/mol
LogP3.87
Rot. Bonds

About (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol

(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol (PubChem CID 101177740) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol
PubChem CID101177740
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol
SMILESO[C@@H]1c2ccccc2C=C[C@@H]1C#CC1=CCCCC1
InChIInChI=1S/C18H18O/c19-18-16(11-10-14-6-2-1-3-7-14)13-12-15-8-4-5-9-17(15)18/h4-6,8-9,12-13,16,18-19H,1-3,7H2/t16-,18-/m0/s1
InChIKeyVUOOPVFGZBGSGV-WMZOPIPTSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol (CID 101177740) is (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol is O[C@@H]1c2ccccc2C=C[C@@H]1C#CC1=CCCCC1.
What is the InChIKey of (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol?
The InChIKey is VUOOPVFGZBGSGV-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H18O/c19-18-16(11-10-14-6-2-1-3-7-14)13-12-15-8-4-5-9-17(15)18/h4-6,8-9,12-13,16,18-19H,1-3,7H2/t16-,18-/m0/s1.
What are the key properties of (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol?
(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 101177740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).