(2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid

C20H22O3 — CID 176908723

IUPAC(2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid
SMILESCC[C@H](C(=O)O)C1(c2ccccc2)CCc2cccc(OC)c21
InChIInChI=1S/C20H22O3/c1-3-16(19(21)22)20(15-9-5-4-6-10-15)13-12-14-8-7-11-17(23-2)18(14)20/h4-11,16H,3,12-13H2,1-2H3,(H,21,22)/t16-,20?/m1/s1
InChIKeyZNBALYQBIGEDPJ-QRIPLOBPSA-N
MW310.39 g/mol
LogP4.04
Rot. Bonds5

About (2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid

(2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid (PubChem CID 176908723) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is (2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid
PubChem CID176908723
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name(2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid
SMILESCC[C@H](C(=O)O)C1(c2ccccc2)CCc2cccc(OC)c21
InChIInChI=1S/C20H22O3/c1-3-16(19(21)22)20(15-9-5-4-6-10-15)13-12-14-8-7-11-17(23-2)18(14)20/h4-11,16H,3,12-13H2,1-2H3,(H,21,22)/t16-,20?/m1/s1
InChIKeyZNBALYQBIGEDPJ-QRIPLOBPSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110443986
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CID 64677547
2-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 54876805
butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
CID 173194976
2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193502
2-[amino-(2-methoxyphenyl)methyl]butanoic acid
CID 116945129
3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene
CID 84718384
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
8-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
CID 115010910
(2-methoxyphenyl)methyl 1-phenylcyclopropane-1-carboxylate
CID 78765613
(1-aminocyclopropyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65466415
2,3-dihydroxybutanedioic acid;2-methoxyaniline
CID 175318404

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid?
The IUPAC name of (2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid (CID 176908723) is (2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid.
What is the SMILES notation for (2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid?
The canonical SMILES for (2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid is CC[C@H](C(=O)O)C1(c2ccccc2)CCc2cccc(OC)c21.
What is the InChIKey of (2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid?
The InChIKey is ZNBALYQBIGEDPJ-QRIPLOBPSA-N. The full InChI is InChI=1S/C20H22O3/c1-3-16(19(21)22)20(15-9-5-4-6-10-15)13-12-14-8-7-11-17(23-2)18(14)20/h4-11,16H,3,12-13H2,1-2H3,(H,21,22)/t16-,20?/m1/s1.
What are the key properties of (2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid?
(2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid has a molecular weight of 310.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid is sourced from PubChem (CID 176908723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).