CID 159805914

C10H10KO3 — CID 159805914

IUPAC—
SMILESCOC(=Cc1ccccc1)C(=O)O.[K]
InChIInChI=1S/C10H10O3.K/c1-13-9(10(11)12)7-8-5-3-2-4-6-8;/h2-7H,1H3,(H,11,12);
InChIKeyNKJVFMLLJQXHEJ-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.38
Rot. Bonds3

About CID 159805914

CID 159805914 (PubChem CID 159805914) has the molecular formula C10H10KO3 and a molecular weight of 217.28 g/mol.

Molecular Properties

Compound NameCID 159805914
PubChem CID159805914
Molecular FormulaC10H10KO3
Molecular Weight217.28 g/mol
Exact Mass217.03
IUPAC Name—
SMILESCOC(=Cc1ccccc1)C(=O)O.[K]
InChIInChI=1S/C10H10O3.K/c1-13-9(10(11)12)7-8-5-3-2-4-6-8;/h2-7H,1H3,(H,11,12);
InChIKeyNKJVFMLLJQXHEJ-UHFFFAOYSA-N
XLogP1.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 159805914 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)
CID 87864699
3-(3-bromophenyl)-2-methoxyprop-2-enoic acid
CID 67763636
2-methoxy-3-phenylprop-2-enoic acid;octyl 2-methoxy-3-phenylprop-2-enoate
CID 162017685
azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177562
methanamine;2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177580
2-methoxy-3-(2-methylphenyl)prop-2-enoic acid
CID 130704139
ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177600
2-methoxyethyl 2-methoxy-3-phenylprop-2-enoate
CID 150649669
2-(3,5-dimethoxyphenoxy)-3-phenylprop-2-enoic acid
CID 139651308

Frequently Asked Questions

What is the IUPAC name of CID 159805914?
The IUPAC name of CID 159805914 (CID 159805914) is not available.
What is the SMILES notation for CID 159805914?
The canonical SMILES for CID 159805914 is COC(=Cc1ccccc1)C(=O)O.[K].
What is the InChIKey of CID 159805914?
The InChIKey is NKJVFMLLJQXHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.K/c1-13-9(10(11)12)7-8-5-3-2-4-6-8;/h2-7H,1H3,(H,11,12);.
What are the key properties of CID 159805914?
CID 159805914 has a molecular weight of 217.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159805914 is sourced from PubChem (CID 159805914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).