6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid

C26H28O3 — CID 10834157

IUPAC6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc([C@H](O)c3ccc4cc(C(=O)O)ccc4c3)ccc21
InChIInChI=1S/C26H28O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15,23,27H,11-12H2,1-4H3,(H,28,29)/t23-/m1/s1
InChIKeyAYAJZQYENGWICE-HSZRJFAPSA-N
MW388.51 g/mol
LogP5.97
Rot. Bonds3

About 6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid

6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid (PubChem CID 10834157) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid
PubChem CID10834157
Molecular FormulaC26H28O3
Molecular Weight388.51 g/mol
Exact Mass388.20
IUPAC Name6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc([C@H](O)c3ccc4cc(C(=O)O)ccc4c3)ccc21
InChIInChI=1S/C26H28O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15,23,27H,11-12H2,1-4H3,(H,28,29)/t23-/m1/s1
InChIKeyAYAJZQYENGWICE-HSZRJFAPSA-N
XLogP5.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid with MolForge

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Related Compounds

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CID 82146
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CID 2201
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CID 5289501
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CID 7123
2,6-Naphthalenedicarboxylic acid
CID 14357
Bms-181156
CID 445576
Zinc naphthenate
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[1,1'-Binaphthalene]-8,8'-dicarboxylic acid
CID 94908
gamma-Oxo-1-pyrenebutyric acid
CID 82011
15-Hydroxydehydroabietic Acid
CID 14487943
Ortho-(1-naphthoyl)benzoic acid
CID 78723
Ethyl-p-((E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propenyl)benzoate
CID 6437076

Frequently Asked Questions

What is the IUPAC name of 6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid (CID 10834157) is 6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid is CC1(C)CCC(C)(C)c2cc([C@H](O)c3ccc4cc(C(=O)O)ccc4c3)ccc21.
What is the InChIKey of 6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid?
The InChIKey is AYAJZQYENGWICE-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H28O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15,23,27H,11-12H2,1-4H3,(H,28,29)/t23-/m1/s1.
What are the key properties of 6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid?
6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid has a molecular weight of 388.51 g/mol, XLogP of 5.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-hydroxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 10834157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).