6-phenylmethoxy-1,2,3,4-tetrahydroquinoline

C16H17NO — CID 22339290

IUPAC6-phenylmethoxy-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(COc2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C16H17NO/c1-2-5-13(6-3-1)12-18-15-8-9-16-14(11-15)7-4-10-17-16/h1-3,5-6,8-9,11,17H,4,7,10,12H2
InChIKeyIIBAIGFSRDHPLM-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.62
Rot. Bonds3

About 6-phenylmethoxy-1,2,3,4-tetrahydroquinoline

6-phenylmethoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 22339290) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-phenylmethoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-phenylmethoxy-1,2,3,4-tetrahydroquinoline
PubChem CID22339290
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name6-phenylmethoxy-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(COc2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C16H17NO/c1-2-5-13(6-3-1)12-18-15-8-9-16-14(11-15)7-4-10-17-16/h1-3,5-6,8-9,11,17H,4,7,10,12H2
InChIKeyIIBAIGFSRDHPLM-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-phenylmethoxy-1,2,3,4-tetrahydroquinoline (CID 22339290) is 6-phenylmethoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-phenylmethoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-phenylmethoxy-1,2,3,4-tetrahydroquinoline is c1ccc(COc2ccc3c(c2)CCCN3)cc1.
What is the InChIKey of 6-phenylmethoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is IIBAIGFSRDHPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-5-13(6-3-1)12-18-15-8-9-16-14(11-15)7-4-10-17-16/h1-3,5-6,8-9,11,17H,4,7,10,12H2.
What are the key properties of 6-phenylmethoxy-1,2,3,4-tetrahydroquinoline?
6-phenylmethoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 239.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 22339290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).