(5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid

C15H20O3 — CID 127041791

IUPAC(5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid
SMILESCC(C)[C@H]1CC[C@@](C)(O)c2ccc(C(=O)O)cc21
InChIInChI=1S/C15H20O3/c1-9(2)11-6-7-15(3,18)13-5-4-10(14(16)17)8-12(11)13/h4-5,8-9,11,18H,6-7H2,1-3H3,(H,16,17)/t11-,15-/m1/s1
InChIKeyWOURYSLHFFSMAH-IAQYHMDHSA-N
MW248.32 g/mol
LogP3.13
Rot. Bonds2

About (5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid

(5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid (PubChem CID 127041791) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid
PubChem CID127041791
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid
SMILESCC(C)[C@H]1CC[C@@](C)(O)c2ccc(C(=O)O)cc21
InChIInChI=1S/C15H20O3/c1-9(2)11-6-7-15(3,18)13-5-4-10(14(16)17)8-12(11)13/h4-5,8-9,11,18H,6-7H2,1-3H3,(H,16,17)/t11-,15-/m1/s1
InChIKeyWOURYSLHFFSMAH-IAQYHMDHSA-N
XLogP3.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid?
The IUPAC name of (5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid (CID 127041791) is (5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid.
What is the SMILES notation for (5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid?
The canonical SMILES for (5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid is CC(C)[C@H]1CC[C@@](C)(O)c2ccc(C(=O)O)cc21.
What is the InChIKey of (5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid?
The InChIKey is WOURYSLHFFSMAH-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H20O3/c1-9(2)11-6-7-15(3,18)13-5-4-10(14(16)17)8-12(11)13/h4-5,8-9,11,18H,6-7H2,1-3H3,(H,16,17)/t11-,15-/m1/s1.
What are the key properties of (5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid?
(5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 127041791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).