4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid

C19H20O4 — CID 22014161

IUPAC4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid
SMILESO=C(O)c1ccc(COCC2CCCO2)cc1-c1ccccc1
InChIInChI=1S/C19H20O4/c20-19(21)17-9-8-14(12-22-13-16-7-4-10-23-16)11-18(17)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,20,21)
InChIKeyRCYXJBKECNFYMW-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.75
Rot. Bonds6

About 4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid

4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid (PubChem CID 22014161) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid
PubChem CID22014161
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid
SMILESO=C(O)c1ccc(COCC2CCCO2)cc1-c1ccccc1
InChIInChI=1S/C19H20O4/c20-19(21)17-9-8-14(12-22-13-16-7-4-10-23-16)11-18(17)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,20,21)
InChIKeyRCYXJBKECNFYMW-UHFFFAOYSA-N
XLogP3.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid
CID 106793954
methyl 4-(oxolan-2-ylmethoxymethyl)benzoate
CID 43120523
bis((3-fluorophenyl)methanol);(2S)-2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 142540594
2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 91656930
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
4-[[(2S)-oxolan-2-yl]methoxymethyl]benzaldehyde
CID 97294037
2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide
CID 106791157
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
CID 94111035
4-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24707627
2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane
CID 54970562
4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid
CID 62023686

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid?
The IUPAC name of 4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid (CID 22014161) is 4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid.
What is the SMILES notation for 4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid?
The canonical SMILES for 4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid is O=C(O)c1ccc(COCC2CCCO2)cc1-c1ccccc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid?
The InChIKey is RCYXJBKECNFYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c20-19(21)17-9-8-14(12-22-13-16-7-4-10-23-16)11-18(17)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,20,21).
What are the key properties of 4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid?
4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid has a molecular weight of 312.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid is sourced from PubChem (CID 22014161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).