2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid

C18H18O3 — CID 80722668

IUPAC2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCc1ccc2c(c1)CCC2
InChIInChI=1S/C18H18O3/c19-18(20)11-16-4-1-2-7-17(16)21-12-13-8-9-14-5-3-6-15(14)10-13/h1-2,4,7-10H,3,5-6,11-12H2,(H,19,20)
InChIKeyXIDQKICYYMQKKJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.38
Rot. Bonds5

About 2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid

2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid (PubChem CID 80722668) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid
PubChem CID80722668
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCc1ccc2c(c1)CCC2
InChIInChI=1S/C18H18O3/c19-18(20)11-16-4-1-2-7-17(16)21-12-13-8-9-14-5-3-6-15(14)10-13/h1-2,4,7-10H,3,5-6,11-12H2,(H,19,20)
InChIKeyXIDQKICYYMQKKJ-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
2-[2-[(3-bromophenyl)methoxy]phenyl]acetic acid
CID 80742211
(2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid
CID 104876281
5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide
CID 106956274
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
6-phenylmethoxy-2,3-dihydro-1H-inden-5-ol
CID 13059019
2-[2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]acetic acid
CID 115460864
4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid
CID 155520617
2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate
CID 83820869
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid
CID 80722666

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid (CID 80722668) is 2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid is O=C(O)Cc1ccccc1OCc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid?
The InChIKey is XIDQKICYYMQKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-18(20)11-16-4-1-2-7-17(16)21-12-13-8-9-14-5-3-6-15(14)10-13/h1-2,4,7-10H,3,5-6,11-12H2,(H,19,20).
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid?
2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid is sourced from PubChem (CID 80722668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).