4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid

C22H26O3 — CID 54300998

IUPAC4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(CO)ccc3C(=O)O)ccc21
InChIInChI=1S/C22H26O3/c1-21(2)9-10-22(3,4)19-12-15(6-8-18(19)21)17-11-14(13-23)5-7-16(17)20(24)25/h5-8,11-12,23H,9-10,13H2,1-4H3,(H,24,25)
InChIKeySEDRBKZUNZEVGG-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.89
Rot. Bonds3

About 4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid

4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid (PubChem CID 54300998) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid
PubChem CID54300998
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(CO)ccc3C(=O)O)ccc21
InChIInChI=1S/C22H26O3/c1-21(2)9-10-22(3,4)19-12-15(6-8-18(19)21)17-11-14(13-23)5-7-16(17)20(24)25/h5-8,11-12,23H,9-10,13H2,1-4H3,(H,24,25)
InChIKeySEDRBKZUNZEVGG-UHFFFAOYSA-N
XLogP4.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-hydroxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]benzoic acid
CID 18768164
2-methyl-4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-ynyl]benzoic acid
CID 18357913
methyl 4-(hydroxymethyl)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)benzoate
CID 54429139
4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid
CID 53225386
7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid
CID 70374661
ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate
CID 18357939
4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid
CID 10633904
2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)terephthalic acid
CID 19834242
1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid
CID 67876279
[4-[5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl] hydrogen carbonate
CID 70191420
4-(hydroxymethyl)-2-methylbenzoic acid
CID 23212172
5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid
CID 10017002

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid?
The IUPAC name of 4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid (CID 54300998) is 4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid.
What is the SMILES notation for 4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid?
The canonical SMILES for 4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid is CC1(C)CCC(C)(C)c2cc(-c3cc(CO)ccc3C(=O)O)ccc21.
What is the InChIKey of 4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid?
The InChIKey is SEDRBKZUNZEVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3/c1-21(2)9-10-22(3,4)19-12-15(6-8-18(19)21)17-11-14(13-23)5-7-16(17)20(24)25/h5-8,11-12,23H,9-10,13H2,1-4H3,(H,24,25).
What are the key properties of 4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid?
4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid has a molecular weight of 338.45 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoic acid is sourced from PubChem (CID 54300998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).