[2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol

C22H30O — CID 22005326

IUPAC[2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol
SMILESCCCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccccc1
InChIInChI=1S/C22H30O/c1-6-10-18-19(15(2)3)13-20(16(4)5)21(14-23)22(18)17-11-8-7-9-12-17/h7-9,11-13,15-16,23H,6,10,14H2,1-5H3
InChIKeyJNXUZJPOLADVEY-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.05
Rot. Bonds6

About [2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol

[2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol (PubChem CID 22005326) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is [2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol.

Molecular Properties

Compound Name[2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol
PubChem CID22005326
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name[2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol
SMILESCCCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccccc1
InChIInChI=1S/C22H30O/c1-6-10-18-19(15(2)3)13-20(16(4)5)21(14-23)22(18)17-11-8-7-9-12-17/h7-9,11-13,15-16,23H,6,10,14H2,1-5H3
InChIKeyJNXUZJPOLADVEY-UHFFFAOYSA-N
XLogP6.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol?
The IUPAC name of [2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol (CID 22005326) is [2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol.
What is the SMILES notation for [2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol?
The canonical SMILES for [2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol is CCCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccccc1.
What is the InChIKey of [2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol?
The InChIKey is JNXUZJPOLADVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-6-10-18-19(15(2)3)13-20(16(4)5)21(14-23)22(18)17-11-8-7-9-12-17/h7-9,11-13,15-16,23H,6,10,14H2,1-5H3.
What are the key properties of [2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol?
[2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol has a molecular weight of 310.48 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol is sourced from PubChem (CID 22005326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).