3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol

C14H19IO — CID 10711463

IUPAC3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol
SMILESCC1(C)CCC(C)(C)c2cc(I)c(O)cc21
InChIInChI=1S/C14H19IO/c1-13(2)5-6-14(3,4)10-8-12(16)11(15)7-9(10)13/h7-8,16H,5-6H2,1-4H3
InChIKeySHQSYEQSIDIIBL-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.35
Rot. Bonds

About 3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol

3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol (PubChem CID 10711463) has the molecular formula C14H19IO and a molecular weight of 330.21 g/mol. Its IUPAC name is 3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol
PubChem CID10711463
Molecular FormulaC14H19IO
Molecular Weight330.21 g/mol
Exact Mass330.05
IUPAC Name3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol
SMILESCC1(C)CCC(C)(C)c2cc(I)c(O)cc21
InChIInChI=1S/C14H19IO/c1-13(2)5-6-14(3,4)10-8-12(16)11(15)7-9(10)13/h7-8,16H,5-6H2,1-4H3
InChIKeySHQSYEQSIDIIBL-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol?
The IUPAC name of 3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol (CID 10711463) is 3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol.
What is the SMILES notation for 3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol?
The canonical SMILES for 3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol is CC1(C)CCC(C)(C)c2cc(I)c(O)cc21.
What is the InChIKey of 3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol?
The InChIKey is SHQSYEQSIDIIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IO/c1-13(2)5-6-14(3,4)10-8-12(16)11(15)7-9(10)13/h7-8,16H,5-6H2,1-4H3.
What are the key properties of 3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol?
3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol has a molecular weight of 330.21 g/mol, XLogP of 4.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol is sourced from PubChem (CID 10711463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).