2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol

C14H18O — CID 79191100

IUPAC2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCC(C)=CC1(O)CCc2ccccc2C1
InChIInChI=1S/C14H18O/c1-11(2)9-14(15)8-7-12-5-3-4-6-13(12)10-14/h3-6,9,15H,7-8,10H2,1-2H3
InChIKeyXISATXMJEVNAQX-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.87
Rot. Bonds1

About 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol

2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 79191100) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID79191100
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCC(C)=CC1(O)CCc2ccccc2C1
InChIInChI=1S/C14H18O/c1-11(2)9-14(15)8-7-12-5-3-4-6-13(12)10-14/h3-6,9,15H,7-8,10H2,1-2H3
InChIKeyXISATXMJEVNAQX-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol (CID 79191100) is 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol is CC(C)=CC1(O)CCc2ccccc2C1.
What is the InChIKey of 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is XISATXMJEVNAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11(2)9-14(15)8-7-12-5-3-4-6-13(12)10-14/h3-6,9,15H,7-8,10H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol?
2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 202.30 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 79191100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).