4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol

C25H28O — CID 141110576

IUPAC4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol
SMILESC/C=C/c1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1
InChIInChI=1S/C25H28O/c1-2-5-18-10-12-21(13-11-18)25(22-14-16-23(26)17-15-22)24-19-6-3-7-20(24)9-4-8-19/h2,5,10-17,19-20,26H,3-4,6-9H2,1H3/b5-2+,25-24?
InChIKeyDQXAALCJNLPXQD-PZJOZTOXSA-N
MW344.50 g/mol
LogP6.83
Rot. Bonds3

About 4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol

4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol (PubChem CID 141110576) has the molecular formula C25H28O and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol
PubChem CID141110576
Molecular FormulaC25H28O
Molecular Weight344.50 g/mol
Exact Mass344.21
IUPAC Name4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol
SMILESC/C=C/c1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1
InChIInChI=1S/C25H28O/c1-2-5-18-10-12-21(13-11-18)25(22-14-16-23(26)17-15-22)24-19-6-3-7-20(24)9-4-8-19/h2,5,10-17,19-20,26H,3-4,6-9H2,1H3/b5-2+,25-24?
InChIKeyDQXAALCJNLPXQD-PZJOZTOXSA-N
XLogP6.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol with MolForge

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Related Compounds

4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol
CID 46205799
4-[4-[9-bicyclo[3.3.1]nonanylidene-(4-hydroxyphenyl)methyl]phenoxy]butanoic acid
CID 46206807
(E)-3-[4-[(E)-(3,7-dimethyl-2-bicyclo[3.3.1]nonanylidene)-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid
CID 142437871
(E)-3-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenyl]-N-hydroxy-N-propan-2-ylprop-2-enamide
CID 142437940
4-(4-prop-1-enylphenyl)sulfonylphenol
CID 67220481
(E)-3-[4-[(Z)-(4-hydroxyphenyl)-[(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanylidene]methyl]phenyl]prop-2-enoic acid
CID 135338672
4-[(Z)-prop-1-enyl]benzoic acid
CID 70130780
4-[(E)-2-(oxolan-2-yl)ethenyl]phenol
CID 24858057
4-prop-1-enylbenzenecarboperoxoic acid
CID 171324450
4-[(Z)-prop-1-enyl]benzenecarboperoxoic acid
CID 100897631
4-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]phenol
CID 144837467
1-(3,3-difluorocyclohexyl)-4-(4-prop-1-enylphenyl)benzene
CID 151822303

Frequently Asked Questions

What is the IUPAC name of 4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol?
The IUPAC name of 4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol (CID 141110576) is 4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol.
What is the SMILES notation for 4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol?
The canonical SMILES for 4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol is C/C=C/c1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol?
The InChIKey is DQXAALCJNLPXQD-PZJOZTOXSA-N. The full InChI is InChI=1S/C25H28O/c1-2-5-18-10-12-21(13-11-18)25(22-14-16-23(26)17-15-22)24-19-6-3-7-20(24)9-4-8-19/h2,5,10-17,19-20,26H,3-4,6-9H2,1H3/b5-2+,25-24?.
What are the key properties of 4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol?
4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol has a molecular weight of 344.50 g/mol, XLogP of 6.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-bicyclo[3.3.1]nonanylidene-[4-[(E)-prop-1-enyl]phenyl]methyl]phenol is sourced from PubChem (CID 141110576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).