6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol

C45H46O5 — CID 23290599

IUPAC6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol
SMILESC=Cc1cc(Cc2cc(C3CCCCC3)c(O)c(Cc3cc(C=C)c(O)c(Cc4ccc(O)cc4)c3)c2C)cc(Cc2ccc(O)cc2)c1O
InChIInChI=1S/C45H46O5/c1-4-33-21-31(24-37(43(33)48)19-29-11-15-39(46)16-12-29)23-36-27-42(35-9-7-6-8-10-35)45(50)41(28(36)3)26-32-22-34(5-2)44(49)38(25-32)20-30-13-17-40(47)18-14-30/h4-5,11-18,21-22,24-25,27,35,46-50H,1-2,6-10,19-20,23,26H2,3H3
InChIKeyFJPDAZNIZCFAOS-UHFFFAOYSA-N
MW666.86 g/mol
LogP10.22
Rot. Bonds11

About 6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol

6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol (PubChem CID 23290599) has the molecular formula C45H46O5 and a molecular weight of 666.86 g/mol. Its IUPAC name is 6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol.

Molecular Properties

Compound Name6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol
PubChem CID23290599
Molecular FormulaC45H46O5
Molecular Weight666.86 g/mol
Exact Mass666.33
IUPAC Name6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol
SMILESC=Cc1cc(Cc2cc(C3CCCCC3)c(O)c(Cc3cc(C=C)c(O)c(Cc4ccc(O)cc4)c3)c2C)cc(Cc2ccc(O)cc2)c1O
InChIInChI=1S/C45H46O5/c1-4-33-21-31(24-37(43(33)48)19-29-11-15-39(46)16-12-29)23-36-27-42(35-9-7-6-8-10-35)45(50)41(28(36)3)26-32-22-34(5-2)44(49)38(25-32)20-30-13-17-40(47)18-14-30/h4-5,11-18,21-22,24-25,27,35,46-50H,1-2,6-10,19-20,23,26H2,3H3
InChIKeyFJPDAZNIZCFAOS-UHFFFAOYSA-N
XLogP10.22
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.86
LogP ≤ 510.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol with MolForge

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Related Compounds

2-cyclohexyl-4,6-bis[[3-ethoxy-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]phenol
CID 23290610
4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
CID 6453118
2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol
CID 22925950
2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol
CID 22770259
4-[[2-hydroxy-3-[[4-hydroxy-3-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
CID 59689291
4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol
CID 88656560
3,6-dicyclopentyl-2-[(2,5-dicyclopentyl-6-hydroxy-3-methylphenyl)methyl]-4-methylphenol
CID 6453119
3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol
CID 154316033
2-cyclohexyl-4-(methoxymethyl)-6-methylphenol
CID 143901397
3-cyclohexyl-6-methylbenzene-1,2-diol
CID 150190518
2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol
CID 175318252
2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 71380266

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol?
The IUPAC name of 6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol (CID 23290599) is 6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol.
What is the SMILES notation for 6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol?
The canonical SMILES for 6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol is C=Cc1cc(Cc2cc(C3CCCCC3)c(O)c(Cc3cc(C=C)c(O)c(Cc4ccc(O)cc4)c3)c2C)cc(Cc2ccc(O)cc2)c1O.
What is the InChIKey of 6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol?
The InChIKey is FJPDAZNIZCFAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46O5/c1-4-33-21-31(24-37(43(33)48)19-29-11-15-39(46)16-12-29)23-36-27-42(35-9-7-6-8-10-35)45(50)41(28(36)3)26-32-22-34(5-2)44(49)38(25-32)20-30-13-17-40(47)18-14-30/h4-5,11-18,21-22,24-25,27,35,46-50H,1-2,6-10,19-20,23,26H2,3H3.
What are the key properties of 6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol?
6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol has a molecular weight of 666.86 g/mol, XLogP of 10.22, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2,4-bis[[3-ethenyl-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]-3-methylphenol is sourced from PubChem (CID 23290599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).