4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol

C23H30O — CID 58617988

IUPAC4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol
SMILESCc1ccc(C(C)(C)C2CCC(C)C(c3ccc(O)cc3)C2)cc1
InChIInChI=1S/C23H30O/c1-16-5-10-19(11-6-16)23(3,4)20-12-7-17(2)22(15-20)18-8-13-21(24)14-9-18/h5-6,8-11,13-14,17,20,22,24H,7,12,15H2,1-4H3
InChIKeyRXMKTFKFIOANGZ-UHFFFAOYSA-N
MW322.49 g/mol
LogP6.20
Rot. Bonds3

About 4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol

4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol (PubChem CID 58617988) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol.

Molecular Properties

Compound Name4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol
PubChem CID58617988
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol
SMILESCc1ccc(C(C)(C)C2CCC(C)C(c3ccc(O)cc3)C2)cc1
InChIInChI=1S/C23H30O/c1-16-5-10-19(11-6-16)23(3,4)20-12-7-17(2)22(15-20)18-8-13-21(24)14-9-18/h5-6,8-11,13-14,17,20,22,24H,7,12,15H2,1-4H3
InChIKeyRXMKTFKFIOANGZ-UHFFFAOYSA-N
XLogP6.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol?
The IUPAC name of 4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol (CID 58617988) is 4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol.
What is the SMILES notation for 4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol?
The canonical SMILES for 4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol is Cc1ccc(C(C)(C)C2CCC(C)C(c3ccc(O)cc3)C2)cc1.
What is the InChIKey of 4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol?
The InChIKey is RXMKTFKFIOANGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c1-16-5-10-19(11-6-16)23(3,4)20-12-7-17(2)22(15-20)18-8-13-21(24)14-9-18/h5-6,8-11,13-14,17,20,22,24H,7,12,15H2,1-4H3.
What are the key properties of 4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol?
4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol has a molecular weight of 322.49 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-[2-(4-methylphenyl)propan-2-yl]cyclohexyl]phenol is sourced from PubChem (CID 58617988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).