6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde

C18H18O2 — CID 52952267

IUPAC6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
SMILESO=CC1CCc2cc(OCc3ccccc3)ccc2C1
InChIInChI=1S/C18H18O2/c19-12-15-6-7-17-11-18(9-8-16(17)10-15)20-13-14-4-2-1-3-5-14/h1-5,8-9,11-12,15H,6-7,10,13H2
InChIKeyZGGJEKJBKMRUCY-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.57
Rot. Bonds4

About 6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde

6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde (PubChem CID 52952267) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
PubChem CID52952267
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
SMILESO=CC1CCc2cc(OCc3ccccc3)ccc2C1
InChIInChI=1S/C18H18O2/c19-12-15-6-7-17-11-18(9-8-16(17)10-15)20-13-14-4-2-1-3-5-14/h1-5,8-9,11-12,15H,6-7,10,13H2
InChIKeyZGGJEKJBKMRUCY-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.57
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

N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 18361491
3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal
CID 145339163
7-phenylmethoxy-3,4-dihydro-2H-chromene-2-carbaldehyde;(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methanol
CID 159424302
3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375582
ethyl 2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate;ethyl 2-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate
CID 129285095
2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
CID 170649253
6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 10778027
1-hydroxy-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 19841196
hydroxy-dimethyl-[2-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]azanium
CID 91416199
2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 166452154
3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
CID 118324757
2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 10568614

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
The IUPAC name of 6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde (CID 52952267) is 6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
The canonical SMILES for 6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde is O=CC1CCc2cc(OCc3ccccc3)ccc2C1.
What is the InChIKey of 6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
The InChIKey is ZGGJEKJBKMRUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-12-15-6-7-17-11-18(9-8-16(17)10-15)20-13-14-4-2-1-3-5-14/h1-5,8-9,11-12,15H,6-7,10,13H2.
What are the key properties of 6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde has a molecular weight of 266.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 52952267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).