4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid

C23H20O3 — CID 155520617

IUPAC4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid
SMILESO=C(O)c1ccc(COc2cc3c(cc2-c2ccccc2)CCC3)cc1
InChIInChI=1S/C23H20O3/c24-23(25)18-11-9-16(10-12-18)15-26-22-14-20-8-4-7-19(20)13-21(22)17-5-2-1-3-6-17/h1-3,5-6,9-14H,4,7-8,15H2,(H,24,25)
InChIKeyIQAYHPJNQXWKTD-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.12
Rot. Bonds5

About 4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid

4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid (PubChem CID 155520617) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid
PubChem CID155520617
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid
SMILESO=C(O)c1ccc(COc2cc3c(cc2-c2ccccc2)CCC3)cc1
InChIInChI=1S/C23H20O3/c24-23(25)18-11-9-16(10-12-18)15-26-22-14-20-8-4-7-19(20)13-21(22)17-5-2-1-3-6-17/h1-3,5-6,9-14H,4,7-8,15H2,(H,24,25)
InChIKeyIQAYHPJNQXWKTD-UHFFFAOYSA-N
XLogP5.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenylmethoxy-2,3-dihydro-1H-inden-5-ol
CID 13059019
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid
CID 80722668
methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 151712376
3-benzoyloxy-4-phenylbenzoic acid
CID 19859975
2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
4-[[2-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]methyl]benzoic acid
CID 1293332
3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676204
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
ethyl 4-[2-(2-phenylmethoxyphenyl)cyclopenten-1-yl]benzoate;4-[2-(2-phenylmethoxyphenyl)cyclopenten-1-yl]benzoic acid
CID 158738327
4-[[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]methyl]benzoic acid
CID 1312680

Frequently Asked Questions

What is the IUPAC name of 4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid?
The IUPAC name of 4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid (CID 155520617) is 4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid.
What is the SMILES notation for 4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid?
The canonical SMILES for 4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid is O=C(O)c1ccc(COc2cc3c(cc2-c2ccccc2)CCC3)cc1.
What is the InChIKey of 4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid?
The InChIKey is IQAYHPJNQXWKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c24-23(25)18-11-9-16(10-12-18)15-26-22-14-20-8-4-7-19(20)13-21(22)17-5-2-1-3-6-17/h1-3,5-6,9-14H,4,7-8,15H2,(H,24,25).
What are the key properties of 4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid?
4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid has a molecular weight of 344.41 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid is sourced from PubChem (CID 155520617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).