4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde

C24H22O3 — CID 123787066

IUPAC4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde
SMILESCOc1ccc2c(c1)-c1cc(OC)ccc1C2CCc1ccc(C=O)cc1
InChIInChI=1S/C24H22O3/c1-26-18-8-11-21-20(10-7-16-3-5-17(15-25)6-4-16)22-12-9-19(27-2)14-24(22)23(21)13-18/h3-6,8-9,11-15,20H,7,10H2,1-2H3
InChIKeyNCHANIBVDDCXQS-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.26
Rot. Bonds6

About 4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde

4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde (PubChem CID 123787066) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde
PubChem CID123787066
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde
SMILESCOc1ccc2c(c1)-c1cc(OC)ccc1C2CCc1ccc(C=O)cc1
InChIInChI=1S/C24H22O3/c1-26-18-8-11-21-20(10-7-16-3-5-17(15-25)6-4-16)22-12-9-19(27-2)14-24(22)23(21)13-18/h3-6,8-9,11-15,20H,7,10H2,1-2H3
InChIKeyNCHANIBVDDCXQS-UHFFFAOYSA-N
XLogP5.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-[N-(3,4-dimethylphenyl)-4-[2-[4-(N-(3,4-dimethylphenyl)-4-methoxyanilino)phenyl]ethyl]anilino]benzaldehyde
CID 89418016
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
CID 58214212
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde
CID 23291631
4-(2-amino-4-methoxyphenyl)benzaldehyde
CID 82039256
benzaldehyde;2-(3-methoxyphenyl)ethanamine
CID 89401887
4-(4-butylphenoxy)benzaldehyde
CID 10824839
4-(2,4-dimethoxyphenoxy)benzaldehyde
CID 118874779
(4-formylphenyl) 2-(4-methoxyphenyl)acetate
CID 39199740
4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 61418108

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde?
The IUPAC name of 4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde (CID 123787066) is 4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde.
What is the SMILES notation for 4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde?
The canonical SMILES for 4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde is COc1ccc2c(c1)-c1cc(OC)ccc1C2CCc1ccc(C=O)cc1.
What is the InChIKey of 4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde?
The InChIKey is NCHANIBVDDCXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c1-26-18-8-11-21-20(10-7-16-3-5-17(15-25)6-4-16)22-12-9-19(27-2)14-24(22)23(21)13-18/h3-6,8-9,11-15,20H,7,10H2,1-2H3.
What are the key properties of 4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde?
4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde has a molecular weight of 358.44 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,6-dimethoxy-9H-fluoren-9-yl)ethyl]benzaldehyde is sourced from PubChem (CID 123787066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).