4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid

C22H26O3 — CID 10449810

IUPAC4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(O)c3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C22H26O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13,19,23H,11-12H2,1-4H3,(H,24,25)
InChIKeyOEAKCSZJSNLAER-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.82
Rot. Bonds3

About 4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid

4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid (PubChem CID 10449810) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid
PubChem CID10449810
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(O)c3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C22H26O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13,19,23H,11-12H2,1-4H3,(H,24,25)
InChIKeyOEAKCSZJSNLAER-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid?
The IUPAC name of 4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid (CID 10449810) is 4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid?
The canonical SMILES for 4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid is CC1(C)CCC(C)(C)c2cc(C(O)c3ccc(C(=O)O)cc3)ccc21.
What is the InChIKey of 4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid?
The InChIKey is OEAKCSZJSNLAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13,19,23H,11-12H2,1-4H3,(H,24,25).
What are the key properties of 4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid?
4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid has a molecular weight of 338.45 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid is sourced from PubChem (CID 10449810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).