2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol

C22H26O — CID 141067164

IUPAC2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol
SMILESCC1=C(C)C(c2ccc3ccccc3c2C(C)(C)O)C(C)=C1C
InChIInChI=1S/C22H26O/c1-13-14(2)16(4)20(15(13)3)19-12-11-17-9-7-8-10-18(17)21(19)22(5,6)23/h7-12,20,23H,1-6H3
InChIKeyIRRZMHJLMFUFMZ-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.84
Rot. Bonds2

About 2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol

2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol (PubChem CID 141067164) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol
PubChem CID141067164
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol
SMILESCC1=C(C)C(c2ccc3ccccc3c2C(C)(C)O)C(C)=C1C
InChIInChI=1S/C22H26O/c1-13-14(2)16(4)20(15(13)3)19-12-11-17-9-7-8-10-18(17)21(19)22(5,6)23/h7-12,20,23H,1-6H3
InChIKeyIRRZMHJLMFUFMZ-UHFFFAOYSA-N
XLogP5.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol with MolForge

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Related Compounds

2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride
CID 160957887
2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
CID 141067355
2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol
CID 141067455
1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole
CID 139971786
1-tert-butyl-2-methylnaphthalene
CID 3019593
1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
CID 13354439
1-amino-2-methyl-1-naphthalen-1-ylpropan-2-ol
CID 23091320
2-methyl-1-(naphthalen-1-ylamino)propan-2-ol
CID 60884850
1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol
CID 139965297
3-methyl-3-(2-methylnaphthalen-1-yl)butanoic acid
CID 81432278
2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid
CID 22023715
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol?
The IUPAC name of 2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol (CID 141067164) is 2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol is CC1=C(C)C(c2ccc3ccccc3c2C(C)(C)O)C(C)=C1C.
What is the InChIKey of 2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol?
The InChIKey is IRRZMHJLMFUFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O/c1-13-14(2)16(4)20(15(13)3)19-12-11-17-9-7-8-10-18(17)21(19)22(5,6)23/h7-12,20,23H,1-6H3.
What are the key properties of 2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol?
2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol has a molecular weight of 306.45 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol is sourced from PubChem (CID 141067164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).