3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal

C14H18O2 — CID 117311204

IUPAC3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal
SMILESCOc1ccc(CCC=O)c2c1CCCC2
InChIInChI=1S/C14H18O2/c1-16-14-9-8-11(5-4-10-15)12-6-2-3-7-13(12)14/h8-10H,2-7H2,1H3
InChIKeyRBNOJHZDURZCCV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.71
Rot. Bonds4

About 3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal

3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal (PubChem CID 117311204) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal.

Molecular Properties

Compound Name3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal
PubChem CID117311204
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal
SMILESCOc1ccc(CCC=O)c2c1CCCC2
InChIInChI=1S/C14H18O2/c1-16-14-9-8-11(5-4-10-15)12-6-2-3-7-13(12)14/h8-10H,2-7H2,1H3
InChIKeyRBNOJHZDURZCCV-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.71
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

3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
CID 117374005
3-(3,4-dimethoxy-2-methylphenyl)propanal
CID 117297630
2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile
CID 84770381
3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal
CID 117287722
3-(3,4-dimethoxy-2-methylsulfanylphenyl)propanal
CID 117353644
1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one
CID 70458258
3-(2-bromo-3,6-dimethoxyphenyl)propanal
CID 117435067
3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal
CID 117284468
3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
CID 117294883
3-(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propanal
CID 117496048
3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal
CID 134621524
5-(4-methoxy-2,3-dimethylphenyl)pentanal
CID 98014243

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal?
The IUPAC name of 3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal (CID 117311204) is 3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal.
What is the SMILES notation for 3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal?
The canonical SMILES for 3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal is COc1ccc(CCC=O)c2c1CCCC2.
What is the InChIKey of 3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal?
The InChIKey is RBNOJHZDURZCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-16-14-9-8-11(5-4-10-15)12-6-2-3-7-13(12)14/h8-10H,2-7H2,1H3.
What are the key properties of 3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal?
3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal has a molecular weight of 218.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propanal is sourced from PubChem (CID 117311204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).