2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid

C14H18O3 — CID 11172367

IUPAC2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid
SMILESCOc1ccc2c(c1)C(C)(C)C(CC(=O)O)C2
InChIInChI=1S/C14H18O3/c1-14(2)10(7-13(15)16)6-9-4-5-11(17-3)8-12(9)14/h4-5,8,10H,6-7H2,1-3H3,(H,15,16)
InChIKeyJWXWMVVDPIIMNC-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.62
Rot. Bonds3

About 2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid

2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid (PubChem CID 11172367) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid
PubChem CID11172367
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid
SMILESCOc1ccc2c(c1)C(C)(C)C(CC(=O)O)C2
InChIInChI=1S/C14H18O3/c1-14(2)10(7-13(15)16)6-9-4-5-11(17-3)8-12(9)14/h4-5,8,10H,6-7H2,1-3H3,(H,15,16)
InChIKeyJWXWMVVDPIIMNC-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid
CID 14343895
2-(7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-yl)acetic acid
CID 115057293
N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide
CID 70556870
5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride
CID 70557198
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
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
1-[(4aR,10aS)-7-methoxy-5,5-dimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-1-yl]ethanone
CID 86733859
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
2-(2-chloro-1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 143390413
2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 115511253
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
ethane;(1S)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 142907152

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid?
The IUPAC name of 2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid (CID 11172367) is 2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid?
The canonical SMILES for 2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid is COc1ccc2c(c1)C(C)(C)C(CC(=O)O)C2.
What is the InChIKey of 2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid?
The InChIKey is JWXWMVVDPIIMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(2)10(7-13(15)16)6-9-4-5-11(17-3)8-12(9)14/h4-5,8,10H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid?
2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid has a molecular weight of 234.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid is sourced from PubChem (CID 11172367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).