7-methoxy-4-phenylspiro[chromene-2,4'-piperidine]

C20H21NO2 — CID 18770929

IUPAC7-methoxy-4-phenylspiro[chromene-2,4'-piperidine]
SMILESCOc1ccc2c(c1)OC1(C=C2c2ccccc2)CCNCC1
InChIInChI=1S/C20H21NO2/c1-22-16-7-8-17-18(15-5-3-2-4-6-15)14-20(23-19(17)13-16)9-11-21-12-10-20/h2-8,13-14,21H,9-12H2,1H3
InChIKeyBTORQUSQYPGKPA-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.64
Rot. Bonds2

About 7-methoxy-4-phenylspiro[chromene-2,4'-piperidine]

7-methoxy-4-phenylspiro[chromene-2,4'-piperidine] (PubChem CID 18770929) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 7-methoxy-4-phenylspiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Name7-methoxy-4-phenylspiro[chromene-2,4'-piperidine]
PubChem CID18770929
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name7-methoxy-4-phenylspiro[chromene-2,4'-piperidine]
SMILESCOc1ccc2c(c1)OC1(C=C2c2ccccc2)CCNCC1
InChIInChI=1S/C20H21NO2/c1-22-16-7-8-17-18(15-5-3-2-4-6-15)14-20(23-19(17)13-16)9-11-21-12-10-20/h2-8,13-14,21H,9-12H2,1H3
InChIKeyBTORQUSQYPGKPA-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-phenylspiro[chromene-2,4'-piperidine]?
The IUPAC name of 7-methoxy-4-phenylspiro[chromene-2,4'-piperidine] (CID 18770929) is 7-methoxy-4-phenylspiro[chromene-2,4'-piperidine].
What is the SMILES notation for 7-methoxy-4-phenylspiro[chromene-2,4'-piperidine]?
The canonical SMILES for 7-methoxy-4-phenylspiro[chromene-2,4'-piperidine] is COc1ccc2c(c1)OC1(C=C2c2ccccc2)CCNCC1.
What is the InChIKey of 7-methoxy-4-phenylspiro[chromene-2,4'-piperidine]?
The InChIKey is BTORQUSQYPGKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-22-16-7-8-17-18(15-5-3-2-4-6-15)14-20(23-19(17)13-16)9-11-21-12-10-20/h2-8,13-14,21H,9-12H2,1H3.
What are the key properties of 7-methoxy-4-phenylspiro[chromene-2,4'-piperidine]?
7-methoxy-4-phenylspiro[chromene-2,4'-piperidine] has a molecular weight of 307.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-phenylspiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 18770929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).