CID 175936648

C10H11InO3 — CID 175936648

IUPAC—
SMILESCOc1cc(CCC(=O)[In])ccc1O
InChIInChI=1S/C10H11O3.In/c1-13-10-7-8(3-2-6-11)4-5-9(10)12;/h4-5,7,12H,2-3H2,1H3;
InChIKeyVGTVQMMLDFQBIH-UHFFFAOYSA-N
MW294.01 g/mol
LogP1.03
Rot. Bonds4

About CID 175936648

CID 175936648 (PubChem CID 175936648) has the molecular formula C10H11InO3 and a molecular weight of 294.01 g/mol.

Molecular Properties

Compound NameCID 175936648
PubChem CID175936648
Molecular FormulaC10H11InO3
Molecular Weight294.01 g/mol
Exact Mass293.97
IUPAC Name—
SMILESCOc1cc(CCC(=O)[In])ccc1O
InChIInChI=1S/C10H11O3.In/c1-13-10-7-8(3-2-6-11)4-5-9(10)12;/h4-5,7,12H,2-3H2,1H3;
InChIKeyVGTVQMMLDFQBIH-UHFFFAOYSA-N
XLogP1.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.01
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze CID 175936648 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

magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
CID 154644614
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71334151
ethane;1-(4-hydroxy-3-methoxyphenyl)pentan-3-one
CID 154645810
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
(E)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 10130870
(Z)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 91715816
methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate
CID 134337029
8-(4-hydroxy-3-methoxyphenyl)octanoic acid
CID 25005890
1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,14-dione
CID 70011892
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one
CID 45276919

Frequently Asked Questions

What is the IUPAC name of CID 175936648?
The IUPAC name of CID 175936648 (CID 175936648) is not available.
What is the SMILES notation for CID 175936648?
The canonical SMILES for CID 175936648 is COc1cc(CCC(=O)[In])ccc1O.
What is the InChIKey of CID 175936648?
The InChIKey is VGTVQMMLDFQBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O3.In/c1-13-10-7-8(3-2-6-11)4-5-9(10)12;/h4-5,7,12H,2-3H2,1H3;.
What are the key properties of CID 175936648?
CID 175936648 has a molecular weight of 294.01 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175936648 is sourced from PubChem (CID 175936648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).