CID 177025702

C17H19In — CID 177025702

IUPAC—
SMILESCCc1cccc(Cc2cccc(C(C)[In])c2)c1
InChIInChI=1S/C17H19.In/c1-3-14-7-5-9-16(11-14)13-17-10-6-8-15(4-2)12-17;/h3,5-12H,4,13H2,1-2H3;
InChIKeyMIWRGWJGDTZXQG-UHFFFAOYSA-N
MW338.16 g/mol
LogP4.07
Rot. Bonds4

About CID 177025702

CID 177025702 (PubChem CID 177025702) has the molecular formula C17H19In and a molecular weight of 338.16 g/mol.

Molecular Properties

Compound NameCID 177025702
PubChem CID177025702
Molecular FormulaC17H19In
Molecular Weight338.16 g/mol
Exact Mass338.05
IUPAC Name—
SMILESCCc1cccc(Cc2cccc(C(C)[In])c2)c1
InChIInChI=1S/C17H19.In/c1-3-14-7-5-9-16(11-14)13-17-10-6-8-15(4-2)12-17;/h3,5-12H,4,13H2,1-2H3;
InChIKeyMIWRGWJGDTZXQG-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 91139007
1-benzyl-3-butan-2-ylbenzene
CID 15748559
(3-ethylphenyl)-(methylamino)methanol
CID 91312447
1-chloro-4-[(3-ethylphenyl)methyl]benzene
CID 142052916
1-(3-ethylphenyl)-2,3-dimethylbutan-1-amine
CID 105018856
1-(3-benzylphenyl)ethanamine
CID 69109207
1-(2,2-dimethylhexan-3-yl)-3-ethylbenzene
CID 59692082
1-(3-ethylphenyl)propan-2-ol
CID 85092525
2-(3-ethylphenyl)-4-methylpentan-1-amine
CID 166737218

Frequently Asked Questions

What is the IUPAC name of CID 177025702?
The IUPAC name of CID 177025702 (CID 177025702) is not available.
What is the SMILES notation for CID 177025702?
The canonical SMILES for CID 177025702 is CCc1cccc(Cc2cccc(C(C)[In])c2)c1.
What is the InChIKey of CID 177025702?
The InChIKey is MIWRGWJGDTZXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19.In/c1-3-14-7-5-9-16(11-14)13-17-10-6-8-15(4-2)12-17;/h3,5-12H,4,13H2,1-2H3;.
What are the key properties of CID 177025702?
CID 177025702 has a molecular weight of 338.16 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177025702 is sourced from PubChem (CID 177025702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).