2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid

C17H24O3 — CID 14343895

IUPAC2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid
SMILESCOc1ccc2c(c1)C(C)(C)CC(CC(=O)O)C2(C)C
InChIInChI=1S/C17H24O3/c1-16(2)10-11(8-15(18)19)17(3,4)13-7-6-12(20-5)9-14(13)16/h6-7,9,11H,8,10H2,1-5H3,(H,18,19)
InChIKeyIJPGCVVUOWOBOC-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.74
Rot. Bonds3

About 2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid

2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid (PubChem CID 14343895) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid
PubChem CID14343895
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid
SMILESCOc1ccc2c(c1)C(C)(C)CC(CC(=O)O)C2(C)C
InChIInChI=1S/C17H24O3/c1-16(2)10-11(8-15(18)19)17(3,4)13-7-6-12(20-5)9-14(13)16/h6-7,9,11H,8,10H2,1-5H3,(H,18,19)
InChIKeyIJPGCVVUOWOBOC-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid
CID 11172367
2-(7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-yl)acetic acid
CID 115057293
2-[(8R,9R,11R,13R,14R,17S)-9,11-dihydroxy-3-methoxy-13-methyl-15-methylidene-6,7,8,11,12,14,16,17-octahydrocyclopenta[a]phenanthren-17-yl]acetic acid
CID 70125414
(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837765
2-[(8R,9R,13R,17S)-9-hydroxy-3-methoxy-13-methyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetic acid
CID 70263840
2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid
CID 23356760
2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 44726409
2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117340088
2-amino-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol
CID 84623934
(5S,7R)-3-(2-fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid
CID 2431648
N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79838612
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid (CID 14343895) is 2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid is COc1ccc2c(c1)C(C)(C)CC(CC(=O)O)C2(C)C.
What is the InChIKey of 2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid?
The InChIKey is IJPGCVVUOWOBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-16(2)10-11(8-15(18)19)17(3,4)13-7-6-12(20-5)9-14(13)16/h6-7,9,11H,8,10H2,1-5H3,(H,18,19).
What are the key properties of 2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid?
2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid has a molecular weight of 276.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid is sourced from PubChem (CID 14343895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).