12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one

C24H23NO3 — CID 11257312

IUPAC12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one
SMILESO=C1c2cc(OCc3ccccc3)c3ccccc3c2C(CO)C2CCCN12
InChIInChI=1S/C24H23NO3/c26-14-20-21-11-6-12-25(21)24(27)19-13-22(28-15-16-7-2-1-3-8-16)17-9-4-5-10-18(17)23(19)20/h1-5,7-10,13,20-21,26H,6,11-12,14-15H2
InChIKeyQWNYWCHWAJMWJA-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.11
Rot. Bonds4

About 12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one

12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one (PubChem CID 11257312) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one.

Molecular Properties

Compound Name12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one
PubChem CID11257312
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one
SMILESO=C1c2cc(OCc3ccccc3)c3ccccc3c2C(CO)C2CCCN12
InChIInChI=1S/C24H23NO3/c26-14-20-21-11-6-12-25(21)24(27)19-13-22(28-15-16-7-2-1-3-8-16)17-9-4-5-10-18(17)23(19)20/h1-5,7-10,13,20-21,26H,6,11-12,14-15H2
InChIKeyQWNYWCHWAJMWJA-UHFFFAOYSA-N
XLogP4.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one?
The IUPAC name of 12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one (CID 11257312) is 12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one.
What is the SMILES notation for 12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one?
The canonical SMILES for 12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one is O=C1c2cc(OCc3ccccc3)c3ccccc3c2C(CO)C2CCCN12.
What is the InChIKey of 12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one?
The InChIKey is QWNYWCHWAJMWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c26-14-20-21-11-6-12-25(21)24(27)19-13-22(28-15-16-7-2-1-3-8-16)17-9-4-5-10-18(17)23(19)20/h1-5,7-10,13,20-21,26H,6,11-12,14-15H2.
What are the key properties of 12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one?
12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one has a molecular weight of 373.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one is sourced from PubChem (CID 11257312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).