4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde

C25H20O — CID 175242525

IUPAC4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde
SMILESO=Cc1ccc(C2=c3ccc4c(c3CCC2)CC=c2ccccc2=4)cc1
InChIInChI=1S/C25H20O/c26-16-17-8-10-19(11-9-17)21-6-3-7-22-23(21)14-15-24-20-5-2-1-4-18(20)12-13-25(22)24/h1-2,4-5,8-12,14-16H,3,6-7,13H2
InChIKeyFJEFHLCVPAMKEZ-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.66
Rot. Bonds2

About 4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde

4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde (PubChem CID 175242525) has the molecular formula C25H20O and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde
PubChem CID175242525
Molecular FormulaC25H20O
Molecular Weight336.43 g/mol
Exact Mass336.15
IUPAC Name4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde
SMILESO=Cc1ccc(C2=c3ccc4c(c3CCC2)CC=c2ccccc2=4)cc1
InChIInChI=1S/C25H20O/c26-16-17-8-10-19(11-9-17)21-6-3-7-22-23(21)14-15-24-20-5-2-1-4-18(20)12-13-25(22)24/h1-2,4-5,8-12,14-16H,3,6-7,13H2
InChIKeyFJEFHLCVPAMKEZ-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde?
The IUPAC name of 4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde (CID 175242525) is 4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde.
What is the SMILES notation for 4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde?
The canonical SMILES for 4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde is O=Cc1ccc(C2=c3ccc4c(c3CCC2)CC=c2ccccc2=4)cc1.
What is the InChIKey of 4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde?
The InChIKey is FJEFHLCVPAMKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O/c26-16-17-8-10-19(11-9-17)21-6-3-7-22-23(21)14-15-24-20-5-2-1-4-18(20)12-13-25(22)24/h1-2,4-5,8-12,14-16H,3,6-7,13H2.
What are the key properties of 4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde?
4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde has a molecular weight of 336.43 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde is sourced from PubChem (CID 175242525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).