methanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol

C24H30O2 — CID 22619410

IUPACmethanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(C(O)C#Cc3ccccc3)ccc21.CO
InChIInChI=1S/C23H26O.CH4O/c1-22(2)14-15-23(3,4)20-16-18(11-12-19(20)22)21(24)13-10-17-8-6-5-7-9-17;1-2/h5-9,11-12,16,21,24H,14-15H2,1-4H3;2H,1H3
InChIKeyMYHFLDULKBSNTA-UHFFFAOYSA-N
MW350.50 g/mol
LogP4.73
Rot. Bonds1

About methanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol

methanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol (PubChem CID 22619410) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is methanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Namemethanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol
PubChem CID22619410
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Namemethanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(C(O)C#Cc3ccccc3)ccc21.CO
InChIInChI=1S/C23H26O.CH4O/c1-22(2)14-15-23(3,4)20-16-18(11-12-19(20)22)21(24)13-10-17-8-6-5-7-9-17;1-2/h5-9,11-12,16,21,24H,14-15H2,1-4H3;2H,1H3
InChIKeyMYHFLDULKBSNTA-UHFFFAOYSA-N
XLogP4.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 methanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol?
The IUPAC name of methanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol (CID 22619410) is methanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for methanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol?
The canonical SMILES for methanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol is CC1(C)CCC(C)(C)c2cc(C(O)C#Cc3ccccc3)ccc21.CO.
What is the InChIKey of methanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol?
The InChIKey is MYHFLDULKBSNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O.CH4O/c1-22(2)14-15-23(3,4)20-16-18(11-12-19(20)22)21(24)13-10-17-8-6-5-7-9-17;1-2/h5-9,11-12,16,21,24H,14-15H2,1-4H3;2H,1H3.
What are the key properties of methanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol?
methanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol has a molecular weight of 350.50 g/mol, XLogP of 4.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-phenyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 22619410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).