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

C27H30O3 — CID 10716115

IUPAC6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid
SMILESCOC(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C27H30O3/c1-26(2)12-13-27(3,4)23-16-20(10-11-22(23)26)24(30-5)19-8-6-18-15-21(25(28)29)9-7-17(18)14-19/h6-11,14-16,24H,12-13H2,1-5H3,(H,28,29)
InChIKeyHPPASAIRMDHNEE-UHFFFAOYSA-N
MW402.53 g/mol
LogP6.62
Rot. Bonds4

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

6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid (PubChem CID 10716115) has the molecular formula C27H30O3 and a molecular weight of 402.53 g/mol. Its IUPAC name is 6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid
PubChem CID10716115
Molecular FormulaC27H30O3
Molecular Weight402.53 g/mol
Exact Mass402.22
IUPAC Name6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid
SMILESCOC(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C27H30O3/c1-26(2)12-13-27(3,4)23-16-20(10-11-22(23)26)24(30-5)19-8-6-18-15-21(25(28)29)9-7-17(18)14-19/h6-11,14-16,24H,12-13H2,1-5H3,(H,28,29)
InChIKeyHPPASAIRMDHNEE-UHFFFAOYSA-N
XLogP6.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.53
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]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 6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid (CID 10716115) is 6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid is COC(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc2cc(C(=O)O)ccc2c1.
What is the InChIKey of 6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid?
The InChIKey is HPPASAIRMDHNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O3/c1-26(2)12-13-27(3,4)23-16-20(10-11-22(23)26)24(30-5)19-8-6-18-15-21(25(28)29)9-7-17(18)14-19/h6-11,14-16,24H,12-13H2,1-5H3,(H,28,29).
What are the key properties of 6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid?
6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid has a molecular weight of 402.53 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methoxy-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 10716115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).