CID 67605368

C17H16CaO3 — CID 67605368

IUPAC—
SMILESCC(C)OC(=O)c1cccc2c1Cc1ccccc1O2.[Ca]
InChIInChI=1S/C17H16O3.Ca/c1-11(2)19-17(18)13-7-5-9-16-14(13)10-12-6-3-4-8-15(12)20-16;/h3-9,11H,10H2,1-2H3;
InChIKeyIWEBEBAQSLSTPT-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.57
Rot. Bonds2

About CID 67605368

CID 67605368 (PubChem CID 67605368) has the molecular formula C17H16CaO3 and a molecular weight of 308.39 g/mol.

Molecular Properties

Compound NameCID 67605368
PubChem CID67605368
Molecular FormulaC17H16CaO3
Molecular Weight308.39 g/mol
Exact Mass308.07
IUPAC Name—
SMILESCC(C)OC(=O)c1cccc2c1Cc1ccccc1O2.[Ca]
InChIInChI=1S/C17H16O3.Ca/c1-11(2)19-17(18)13-7-5-9-16-14(13)10-12-6-3-4-8-15(12)20-16;/h3-9,11H,10H2,1-2H3;
InChIKeyIWEBEBAQSLSTPT-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 9H-xanthene-1-carboxylate
CID 66809757
ethyl 9H-xanthene-1-carboxylate
CID 53405461
CID 67123136
CID 67123136
butyl 9H-xanthene-1-carboxylate;zinc
CID 66657389
sodium;9H-xanthene-1-carboxylic acid;hydroxide
CID 67636026
neodymium(3+);tris(9H-xanthene-1-carboxylate)
CID 173018379
[di(icosyl)amino] 9H-xanthene-1-carboxylate
CID 87721871
2-(9H-xanthen-1-yloxy)benzoic acid
CID 175118326
2-methoxy-9H-xanthene-1-carboxylic acid
CID 69170212
molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid
CID 87722162
1,2-dimethyl-9H-xanthene
CID 3016191
trimethyl(9H-xanthen-1-yl)silane
CID 175828313

Frequently Asked Questions

What is the IUPAC name of CID 67605368?
The IUPAC name of CID 67605368 (CID 67605368) is not available.
What is the SMILES notation for CID 67605368?
The canonical SMILES for CID 67605368 is CC(C)OC(=O)c1cccc2c1Cc1ccccc1O2.[Ca].
What is the InChIKey of CID 67605368?
The InChIKey is IWEBEBAQSLSTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3.Ca/c1-11(2)19-17(18)13-7-5-9-16-14(13)10-12-6-3-4-8-15(12)20-16;/h3-9,11H,10H2,1-2H3;.
What are the key properties of CID 67605368?
CID 67605368 has a molecular weight of 308.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67605368 is sourced from PubChem (CID 67605368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).