[5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol

C23H29NO — CID 72608188

IUPAC[5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol
SMILESCC(=Cc1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(CO)nc1
InChIInChI=1S/C23H29NO/c1-16(18-7-8-19(15-25)24-14-18)12-17-6-9-20-21(13-17)23(4,5)11-10-22(20,2)3/h6-9,12-14,25H,10-11,15H2,1-5H3
InChIKeyBHQGZQFRXDVVKL-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.48
Rot. Bonds3

About [5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol

[5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol (PubChem CID 72608188) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is [5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol
PubChem CID72608188
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name[5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol
SMILESCC(=Cc1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(CO)nc1
InChIInChI=1S/C23H29NO/c1-16(18-7-8-19(15-25)24-14-18)12-17-6-9-20-21(13-17)23(4,5)11-10-22(20,2)3/h6-9,12-14,25H,10-11,15H2,1-5H3
InChIKeyBHQGZQFRXDVVKL-UHFFFAOYSA-N
XLogP5.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol?
The IUPAC name of [5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol (CID 72608188) is [5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol?
The canonical SMILES for [5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol is CC(=Cc1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(CO)nc1.
What is the InChIKey of [5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol?
The InChIKey is BHQGZQFRXDVVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-16(18-7-8-19(15-25)24-14-18)12-17-6-9-20-21(13-17)23(4,5)11-10-22(20,2)3/h6-9,12-14,25H,10-11,15H2,1-5H3.
What are the key properties of [5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol?
[5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol has a molecular weight of 335.49 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 72608188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).