cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid

C19H18O5 — CID 59978540

IUPACcis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C[C@@]1(Cc1cccc(OCc2ccccc2)c1)C(=O)O
InChIInChI=1S/C19H18O5/c20-17(21)16-11-19(16,18(22)23)10-14-7-4-8-15(9-14)24-12-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H,20,21)(H,22,23)/t16-,19+/m0/s1
InChIKeyDYHQYXHJFFJISM-QFBILLFUSA-N
MW326.35 g/mol
LogP2.98
Rot. Bonds7

About cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid

cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid (PubChem CID 59978540) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid
PubChem CID59978540
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Namecis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C[C@@]1(Cc1cccc(OCc2ccccc2)c1)C(=O)O
InChIInChI=1S/C19H18O5/c20-17(21)16-11-19(16,18(22)23)10-14-7-4-8-15(9-14)24-12-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H,20,21)(H,22,23)/t16-,19+/m0/s1
InChIKeyDYHQYXHJFFJISM-QFBILLFUSA-N
XLogP2.98
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-methoxycarbonyl-2-(3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 10172009
3-[(3-phenylmethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171953641
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
CID 95003342
phenoxymethylbenzene;sulfuric acid
CID 68982967
2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 20748512
4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 68724845
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
N-(1-adamantylcarbamothioyl)-3-phenylmethoxybenzamide
CID 4631773

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid (CID 59978540) is cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid is O=C(O)[C@@H]1C[C@@]1(Cc1cccc(OCc2ccccc2)c1)C(=O)O.
What is the InChIKey of cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid?
The InChIKey is DYHQYXHJFFJISM-QFBILLFUSA-N. The full InChI is InChI=1S/C19H18O5/c20-17(21)16-11-19(16,18(22)23)10-14-7-4-8-15(9-14)24-12-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H,20,21)(H,22,23)/t16-,19+/m0/s1.
What are the key properties of cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid?
cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 59978540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).