CID 131851660

C11H11O5 — CID 131851660

IUPAC—
SMILESCOc1ccc(C([CH]C(=O)O)C(=O)O)cc1
InChIInChI=1S/C11H11O5/c1-16-8-4-2-7(3-5-8)9(11(14)15)6-10(12)13/h2-6,9H,1H3,(H,12,13)(H,14,15)
InChIKeyWNQRQNIYJXYQJJ-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.15
Rot. Bonds5

About CID 131851660

CID 131851660 (PubChem CID 131851660) has the molecular formula C11H11O5 and a molecular weight of 223.20 g/mol.

Molecular Properties

Compound NameCID 131851660
PubChem CID131851660
Molecular FormulaC11H11O5
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name—
SMILESCOc1ccc(C([CH]C(=O)O)C(=O)O)cc1
InChIInChI=1S/C11H11O5/c1-16-8-4-2-7(3-5-8)9(11(14)15)6-10(12)13/h2-6,9H,1H3,(H,12,13)(H,14,15)
InChIKeyWNQRQNIYJXYQJJ-UHFFFAOYSA-N
XLogP1.15
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(chloromethyl)-2-(4-methoxyphenyl)hex-3-enoic acid
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ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
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(3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 140981337
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 15011210
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805

Frequently Asked Questions

What is the IUPAC name of CID 131851660?
The IUPAC name of CID 131851660 (CID 131851660) is not available.
What is the SMILES notation for CID 131851660?
The canonical SMILES for CID 131851660 is COc1ccc(C([CH]C(=O)O)C(=O)O)cc1.
What is the InChIKey of CID 131851660?
The InChIKey is WNQRQNIYJXYQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O5/c1-16-8-4-2-7(3-5-8)9(11(14)15)6-10(12)13/h2-6,9H,1H3,(H,12,13)(H,14,15).
What are the key properties of CID 131851660?
CID 131851660 has a molecular weight of 223.20 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131851660 is sourced from PubChem (CID 131851660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).