2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C16H14O3 — CID 14250425

IUPAC2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1c2ccccc2O[C@H]1c1ccccc1
InChIInChI=1S/C16H14O3/c17-15(18)10-13-12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-9,13,16H,10H2,(H,17,18)/t13-,16+/m1/s1
InChIKeyMHBTUGKMGKHGQE-CJNGLKHVSA-N
MW254.29 g/mol
LogP3.38
Rot. Bonds3

About 2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 14250425) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID14250425
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1c2ccccc2O[C@H]1c1ccccc1
InChIInChI=1S/C16H14O3/c17-15(18)10-13-12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-9,13,16H,10H2,(H,17,18)/t13-,16+/m1/s1
InChIKeyMHBTUGKMGKHGQE-CJNGLKHVSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,4,4a,10,10a-hexahydro-1H-chromeno[3,2-c]pyridin-10-yl)acetic acid
CID 57015320
(2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 11042883
[(2S,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]methyl 4-methylbenzenesulfonate
CID 23247673
2-(9H-xanthen-9-yl)acetic acid
CID 834662
2-[(2R,3S)-3-phenyloxiran-2-yl]acetic acid
CID 135891060
2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid
CID 67934495
2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid
CID 57035759
(2R,3S,4R)-3-nitro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 1229687
(1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene
CID 138977577
1-[(2R,3R)-2-benzoyl-2,3-dihydro-1-benzofuran-3-yl]-3,3-dimethylbutan-2-one
CID 139192667
sodium 2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 23688231
(2S,3S)-3-(carboxymethyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 11666053

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 14250425) is 2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid is O=C(O)C[C@@H]1c2ccccc2O[C@H]1c1ccccc1.
What is the InChIKey of 2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is MHBTUGKMGKHGQE-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H14O3/c17-15(18)10-13-12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-9,13,16H,10H2,(H,17,18)/t13-,16+/m1/s1.
What are the key properties of 2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 14250425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).