1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol

C12H12O — CID 12840344

IUPAC1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESC#CC1(O)CCCc2ccccc21
InChIInChI=1S/C12H12O/c1-2-12(13)9-5-7-10-6-3-4-8-11(10)12/h1,3-4,6,8,13H,5,7,9H2
InChIKeyDYZCARXAQRVAOE-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.84
Rot. Bonds

About 1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol

1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 12840344) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID12840344
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESC#CC1(O)CCCc2ccccc21
InChIInChI=1S/C12H12O/c1-2-12(13)9-5-7-10-6-3-4-8-11(10)12/h1,3-4,6,8,13H,5,7,9H2
InChIKeyDYZCARXAQRVAOE-UHFFFAOYSA-N
XLogP1.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.84
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 1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol (CID 12840344) is 1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol is C#CC1(O)CCCc2ccccc21.
What is the InChIKey of 1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is DYZCARXAQRVAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-2-12(13)9-5-7-10-6-3-4-8-11(10)12/h1,3-4,6,8,13H,5,7,9H2.
What are the key properties of 1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol?
1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 172.23 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 12840344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).