2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one

C22H22O2 — CID 170649253

IUPAC2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
SMILESO=C1C(=CC2CCC2)CCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C22H22O2/c23-22-19(13-16-7-4-8-16)10-9-18-14-20(11-12-21(18)22)24-15-17-5-2-1-3-6-17/h1-3,5-6,11-14,16H,4,7-10,15H2
InChIKeyIFGAEEAHIKEERZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.12
Rot. Bonds4

About 2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one

2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one (PubChem CID 170649253) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
PubChem CID170649253
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
SMILESO=C1C(=CC2CCC2)CCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C22H22O2/c23-22-19(13-16-7-4-8-16)10-9-18-14-20(11-12-21(18)22)24-15-17-5-2-1-3-6-17/h1-3,5-6,11-14,16H,4,7-10,15H2
InChIKeyIFGAEEAHIKEERZ-UHFFFAOYSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 23111685
methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 59590801
2-(cyclopentylmethylidene)-7-(quinolin-2-ylmethoxy)-3,4-dihydronaphthalen-1-one
CID 54014151
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 23121517
methyl 6-(cyclobutylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate
CID 66722983
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
(2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid
CID 68909509
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate
CID 66722546
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 101422030

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one (CID 170649253) is 2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one is O=C1C(=CC2CCC2)CCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one?
The InChIKey is IFGAEEAHIKEERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c23-22-19(13-16-7-4-8-16)10-9-18-14-20(11-12-21(18)22)24-15-17-5-2-1-3-6-17/h1-3,5-6,11-14,16H,4,7-10,15H2.
What are the key properties of 2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one?
2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one has a molecular weight of 318.42 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 170649253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).