7-phenoxynaphthalene-1-carbaldehyde

C17H12O2 — CID 146459921

IUPAC7-phenoxynaphthalene-1-carbaldehyde
SMILESO=Cc1cccc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C17H12O2/c18-12-14-6-4-5-13-9-10-16(11-17(13)14)19-15-7-2-1-3-8-15/h1-12H
InChIKeyODXHFKLCFRQRNG-UHFFFAOYSA-N
MW248.28 g/mol
LogP4.44
Rot. Bonds3

About 7-phenoxynaphthalene-1-carbaldehyde

7-phenoxynaphthalene-1-carbaldehyde (PubChem CID 146459921) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 7-phenoxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name7-phenoxynaphthalene-1-carbaldehyde
PubChem CID146459921
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name7-phenoxynaphthalene-1-carbaldehyde
SMILESO=Cc1cccc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C17H12O2/c18-12-14-6-4-5-13-9-10-16(11-17(13)14)19-15-7-2-1-3-8-15/h1-12H
InChIKeyODXHFKLCFRQRNG-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-ethoxynaphthalene-1-carbaldehyde
CID 123261144
2,4-diphenoxybenzaldehyde
CID 87301631
2-chloro-5-phenoxybenzaldehyde
CID 131420183
naphthalene-1-carbaldehyde;zinc
CID 88790891
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279
7-methylnaphthalene-1-carbaldehyde
CID 15657410
2-chloro-7-phenoxyquinoline-3-carbaldehyde
CID 143687887
7-(bromomethyl)naphthalene-1-carbaldehyde
CID 118815566
8-phenoxyphenanthridine-6-carbaldehyde
CID 178074620
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
3-naphthalen-2-yloxybenzoic acid
CID 10587676
6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde
CID 58518892

Frequently Asked Questions

What is the IUPAC name of 7-phenoxynaphthalene-1-carbaldehyde?
The IUPAC name of 7-phenoxynaphthalene-1-carbaldehyde (CID 146459921) is 7-phenoxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 7-phenoxynaphthalene-1-carbaldehyde?
The canonical SMILES for 7-phenoxynaphthalene-1-carbaldehyde is O=Cc1cccc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of 7-phenoxynaphthalene-1-carbaldehyde?
The InChIKey is ODXHFKLCFRQRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2/c18-12-14-6-4-5-13-9-10-16(11-17(13)14)19-15-7-2-1-3-8-15/h1-12H.
What are the key properties of 7-phenoxynaphthalene-1-carbaldehyde?
7-phenoxynaphthalene-1-carbaldehyde has a molecular weight of 248.28 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 146459921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).