4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde

C25H20O2 — CID 101016058

IUPAC4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde
SMILESO=Cc1ccc(CCCc2ccc(C=O)c3ccccc23)c2ccccc12
InChIInChI=1S/C25H20O2/c26-16-20-14-12-18(22-8-1-3-10-24(20)22)6-5-7-19-13-15-21(17-27)25-11-4-2-9-23(19)25/h1-4,8-17H,5-7H2
InChIKeyWYSWEYKBJZWFSR-UHFFFAOYSA-N
MW352.43 g/mol
LogP5.79
Rot. Bonds6

About 4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde

4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde (PubChem CID 101016058) has the molecular formula C25H20O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde
PubChem CID101016058
Molecular FormulaC25H20O2
Molecular Weight352.43 g/mol
Exact Mass352.15
IUPAC Name4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde
SMILESO=Cc1ccc(CCCc2ccc(C=O)c3ccccc23)c2ccccc12
InChIInChI=1S/C25H20O2/c26-16-20-14-12-18(22-8-1-3-10-24(20)22)6-5-7-19-13-15-21(17-27)25-11-4-2-9-23(19)25/h1-4,8-17H,5-7H2
InChIKeyWYSWEYKBJZWFSR-UHFFFAOYSA-N
XLogP5.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.79
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

4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde
CID 149149897
1-(5-bromopentyl)-4-ethenylnaphthalene
CID 139944501
2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde
CID 153490793
4-phenylnaphthalene-1-carbaldehyde
CID 15050889
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
methyl (E)-3-[4-[5-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]naphthalen-1-yl]pentyl]naphthalen-1-yl]prop-2-enoate
CID 15467784
4-(4-formyl-2,3-dimethoxyphenyl)butanoic acid
CID 117383557
naphthalene-1-carbaldehyde;zinc
CID 88790891
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279
4-bromonaphthalene-1-carbaldehyde;1,4-dibromonaphthalene;ethane
CID 158185704
3-[4-(2-oxoethyl)naphthalen-1-yl]propanal
CID 20528373
4-(sulfanylmethoxy)naphthalene-1-carbaldehyde
CID 88819340

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde?
The IUPAC name of 4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde (CID 101016058) is 4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde?
The canonical SMILES for 4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde is O=Cc1ccc(CCCc2ccc(C=O)c3ccccc23)c2ccccc12.
What is the InChIKey of 4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde?
The InChIKey is WYSWEYKBJZWFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O2/c26-16-20-14-12-18(22-8-1-3-10-24(20)22)6-5-7-19-13-15-21(17-27)25-11-4-2-9-23(19)25/h1-4,8-17H,5-7H2.
What are the key properties of 4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde?
4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde has a molecular weight of 352.43 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 101016058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).