4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde

C23H23FO2 — CID 88914964

IUPAC4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde
SMILESCC1(C)[C@H]2C=C(c3cc(C=O)ccc3-c3cc(O)ccc3F)[C@]1(C)CC2
InChIInChI=1S/C23H23FO2/c1-22(2)15-8-9-23(22,3)20(11-15)18-10-14(13-25)4-6-17(18)19-12-16(26)5-7-21(19)24/h4-7,10-13,15,26H,8-9H2,1-3H3/t15-,23+/m1/s1
InChIKeyWPPNULXXXBFCBC-CMJOXMDJSA-N
MW350.43 g/mol
LogP5.85
Rot. Bonds3

About 4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde

4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde (PubChem CID 88914964) has the molecular formula C23H23FO2 and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde.

Molecular Properties

Compound Name4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde
PubChem CID88914964
Molecular FormulaC23H23FO2
Molecular Weight350.43 g/mol
Exact Mass350.17
IUPAC Name4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde
SMILESCC1(C)[C@H]2C=C(c3cc(C=O)ccc3-c3cc(O)ccc3F)[C@]1(C)CC2
InChIInChI=1S/C23H23FO2/c1-22(2)15-8-9-23(22,3)20(11-15)18-10-14(13-25)4-6-17(18)19-12-16(26)5-7-21(19)24/h4-7,10-13,15,26H,8-9H2,1-3H3/t15-,23+/m1/s1
InChIKeyWPPNULXXXBFCBC-CMJOXMDJSA-N
XLogP5.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.43
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde?
The IUPAC name of 4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde (CID 88914964) is 4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde.
What is the SMILES notation for 4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde?
The canonical SMILES for 4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde is CC1(C)[C@H]2C=C(c3cc(C=O)ccc3-c3cc(O)ccc3F)[C@]1(C)CC2.
What is the InChIKey of 4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde?
The InChIKey is WPPNULXXXBFCBC-CMJOXMDJSA-N. The full InChI is InChI=1S/C23H23FO2/c1-22(2)15-8-9-23(22,3)20(11-15)18-10-14(13-25)4-6-17(18)19-12-16(26)5-7-21(19)24/h4-7,10-13,15,26H,8-9H2,1-3H3/t15-,23+/m1/s1.
What are the key properties of 4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde?
4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde has a molecular weight of 350.43 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde is sourced from PubChem (CID 88914964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).