4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol

C29H40O2 — CID 57224200

IUPAC4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol
SMILESCC1CCC(C)(c2ccc(O)c(Cc3cc(C4(C)CCC(C)CC4)ccc3O)c2)CC1
InChIInChI=1S/C29H40O2/c1-20-9-13-28(3,14-10-20)24-5-7-26(30)22(18-24)17-23-19-25(6-8-27(23)31)29(4)15-11-21(2)12-16-29/h5-8,18-21,30-31H,9-17H2,1-4H3
InChIKeyMGMQHWUYIHUARA-UHFFFAOYSA-N
MW420.64 g/mol
LogP7.62
Rot. Bonds4

About 4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol

4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol (PubChem CID 57224200) has the molecular formula C29H40O2 and a molecular weight of 420.64 g/mol. Its IUPAC name is 4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol.

Molecular Properties

Compound Name4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol
PubChem CID57224200
Molecular FormulaC29H40O2
Molecular Weight420.64 g/mol
Exact Mass420.30
IUPAC Name4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol
SMILESCC1CCC(C)(c2ccc(O)c(Cc3cc(C4(C)CCC(C)CC4)ccc3O)c2)CC1
InChIInChI=1S/C29H40O2/c1-20-9-13-28(3,14-10-20)24-5-7-26(30)22(18-24)17-23-19-25(6-8-27(23)31)29(4)15-11-21(2)12-16-29/h5-8,18-21,30-31H,9-17H2,1-4H3
InChIKeyMGMQHWUYIHUARA-UHFFFAOYSA-N
XLogP7.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol?
The IUPAC name of 4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol (CID 57224200) is 4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol.
What is the SMILES notation for 4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol?
The canonical SMILES for 4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol is CC1CCC(C)(c2ccc(O)c(Cc3cc(C4(C)CCC(C)CC4)ccc3O)c2)CC1.
What is the InChIKey of 4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol?
The InChIKey is MGMQHWUYIHUARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O2/c1-20-9-13-28(3,14-10-20)24-5-7-26(30)22(18-24)17-23-19-25(6-8-27(23)31)29(4)15-11-21(2)12-16-29/h5-8,18-21,30-31H,9-17H2,1-4H3.
What are the key properties of 4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol?
4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol has a molecular weight of 420.64 g/mol, XLogP of 7.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethylcyclohexyl)-2-[[5-(1,4-dimethylcyclohexyl)-2-hydroxyphenyl]methyl]phenol is sourced from PubChem (CID 57224200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).