4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol

C33H34ClNO — CID 162522333

IUPAC4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol
SMILESC=C(C)c1cc(N(Cc2ccccc2)Cc2ccccc2)cc(Cl)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C33H34ClNO/c1-23(2)29-19-28(20-32(34)31(29)18-27-15-16-33(36)30(17-27)24(3)4)35(21-25-11-7-5-8-12-25)22-26-13-9-6-10-14-26/h5-17,19-20,24,36H,1,18,21-22H2,2-4H3
InChIKeyQINKWJRBAMIZFY-UHFFFAOYSA-N
MW496.09 g/mol
LogP9.00
Rot. Bonds9

About 4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol

4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol (PubChem CID 162522333) has the molecular formula C33H34ClNO and a molecular weight of 496.09 g/mol. Its IUPAC name is 4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol
PubChem CID162522333
Molecular FormulaC33H34ClNO
Molecular Weight496.09 g/mol
Exact Mass495.23
IUPAC Name4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol
SMILESC=C(C)c1cc(N(Cc2ccccc2)Cc2ccccc2)cc(Cl)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C33H34ClNO/c1-23(2)29-19-28(20-32(34)31(29)18-27-15-16-33(36)30(17-27)24(3)4)35(21-25-11-7-5-8-12-25)22-26-13-9-6-10-14-26/h5-17,19-20,24,36H,1,18,21-22H2,2-4H3
InChIKeyQINKWJRBAMIZFY-UHFFFAOYSA-N
XLogP9.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.09
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol with MolForge

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Related Compounds

1-[3-chloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-prop-1-en-2-ylphenoxy]propan-2-one
CID 160700166
N,N-dibenzyl-3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)methyl]aniline
CID 164775955
4-[(4-bromo-2,6-dichlorophenyl)methyl]-2-propan-2-ylphenol
CID 162522320
4-[[2,6-dichloro-4-(1,1-difluoro-2-hydroxyprop-2-enoxy)phenyl]methyl]-2-propan-2-ylphenol
CID 162522654
(E)-3-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenyl]-2-methylprop-2-enoic acid;ethane
CID 162522712
4-benzyl-6-[(4-hydroxy-3-propan-2-ylphenyl)methyl]benzene-1,2,3-triol
CID 58626406
(E)-3-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenyl]prop-2-enoic acid
CID 162522770
2-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenyl]sulfinylacetic acid
CID 162522810
2-[[6-chloro-7-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid
CID 58885586
2-[[3-chloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-5-methylphenyl]methylsulfanyl]acetic acid
CID 162522675
4-[(N-benzylanilino)methyl]-2-methoxyphenol
CID 174576798
N,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline
CID 155682167

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol?
The IUPAC name of 4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol (CID 162522333) is 4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol.
What is the SMILES notation for 4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol?
The canonical SMILES for 4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol is C=C(C)c1cc(N(Cc2ccccc2)Cc2ccccc2)cc(Cl)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of 4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol?
The InChIKey is QINKWJRBAMIZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClNO/c1-23(2)29-19-28(20-32(34)31(29)18-27-15-16-33(36)30(17-27)24(3)4)35(21-25-11-7-5-8-12-25)22-26-13-9-6-10-14-26/h5-17,19-20,24,36H,1,18,21-22H2,2-4H3.
What are the key properties of 4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol?
4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol has a molecular weight of 496.09 g/mol, XLogP of 9.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-4-(dibenzylamino)-6-prop-1-en-2-ylphenyl]methyl]-2-propan-2-ylphenol is sourced from PubChem (CID 162522333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).