4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol

C29H33NO3 — CID 67847087

IUPAC4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol
SMILESCCCNCC(O)COc1ccc(C(=C(c2ccccc2)C2CC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C29H33NO3/c1-2-18-30-19-26(32)20-33-27-16-12-24(13-17-27)29(23-10-14-25(31)15-11-23)28(22-8-9-22)21-6-4-3-5-7-21/h3-7,10-17,22,26,30-32H,2,8-9,18-20H2,1H3
InChIKeySBGPFKVZBYJNDX-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.50
Rot. Bonds11

About 4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol

4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol (PubChem CID 67847087) has the molecular formula C29H33NO3 and a molecular weight of 443.59 g/mol. Its IUPAC name is 4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol.

Molecular Properties

Compound Name4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol
PubChem CID67847087
Molecular FormulaC29H33NO3
Molecular Weight443.59 g/mol
Exact Mass443.25
IUPAC Name4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol
SMILESCCCNCC(O)COc1ccc(C(=C(c2ccccc2)C2CC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C29H33NO3/c1-2-18-30-19-26(32)20-33-27-16-12-24(13-17-27)29(23-10-14-25(31)15-11-23)28(22-8-9-22)21-6-4-3-5-7-21/h3-7,10-17,22,26,30-32H,2,8-9,18-20H2,1H3
InChIKeySBGPFKVZBYJNDX-UHFFFAOYSA-N
XLogP5.50
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1,2-diphenylbut-1-enyl)phenoxy]-3-(propylamino)propan-2-ol
CID 67846665
4-[1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 67847089
[4-[(E)-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylbut-1-enyl]phenyl] acetate
CID 67846828
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
4-[(Z)-1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 67847155
4-[2-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1-[4-[3-[ethyl(methyl)amino]-2-hydroxypropoxy]phenyl]ethenyl]phenol
CID 67846978
4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol
CID 11481559
1-[4-(1,2-diphenylbut-1-enyl)phenoxy]-3-(methylamino)propan-2-ol
CID 67847195
4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol
CID 118334706
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
4-[1-[4-[3-[ethyl(methyl)amino]-2-hydroxypropoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 67846760
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol;oxalic acid
CID 12541330

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol?
The IUPAC name of 4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol (CID 67847087) is 4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol.
What is the SMILES notation for 4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol?
The canonical SMILES for 4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol is CCCNCC(O)COc1ccc(C(=C(c2ccccc2)C2CC2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol?
The InChIKey is SBGPFKVZBYJNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO3/c1-2-18-30-19-26(32)20-33-27-16-12-24(13-17-27)29(23-10-14-25(31)15-11-23)28(22-8-9-22)21-6-4-3-5-7-21/h3-7,10-17,22,26,30-32H,2,8-9,18-20H2,1H3.
What are the key properties of 4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol?
4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol has a molecular weight of 443.59 g/mol, XLogP of 5.50, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-1-[4-[2-hydroxy-3-(propylamino)propoxy]phenyl]-2-phenylethenyl]phenol is sourced from PubChem (CID 67847087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).