2-[(4-propan-2-yloxyphenyl)methyl]phenol

C16H18O2 — CID 22145956

IUPAC2-[(4-propan-2-yloxyphenyl)methyl]phenol
SMILESCC(C)Oc1ccc(Cc2ccccc2O)cc1
InChIInChI=1S/C16H18O2/c1-12(2)18-15-9-7-13(8-10-15)11-14-5-3-4-6-16(14)17/h3-10,12,17H,11H2,1-2H3
InChIKeyUKIIQMFGVQQBEY-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.77
Rot. Bonds4

About 2-[(4-propan-2-yloxyphenyl)methyl]phenol

2-[(4-propan-2-yloxyphenyl)methyl]phenol (PubChem CID 22145956) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(4-propan-2-yloxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2-[(4-propan-2-yloxyphenyl)methyl]phenol
PubChem CID22145956
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-[(4-propan-2-yloxyphenyl)methyl]phenol
SMILESCC(C)Oc1ccc(Cc2ccccc2O)cc1
InChIInChI=1S/C16H18O2/c1-12(2)18-15-9-7-13(8-10-15)11-14-5-3-4-6-16(14)17/h3-10,12,17H,11H2,1-2H3
InChIKeyUKIIQMFGVQQBEY-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-yloxyphenyl)methyl]phenol?
The IUPAC name of 2-[(4-propan-2-yloxyphenyl)methyl]phenol (CID 22145956) is 2-[(4-propan-2-yloxyphenyl)methyl]phenol.
What is the SMILES notation for 2-[(4-propan-2-yloxyphenyl)methyl]phenol?
The canonical SMILES for 2-[(4-propan-2-yloxyphenyl)methyl]phenol is CC(C)Oc1ccc(Cc2ccccc2O)cc1.
What is the InChIKey of 2-[(4-propan-2-yloxyphenyl)methyl]phenol?
The InChIKey is UKIIQMFGVQQBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-12(2)18-15-9-7-13(8-10-15)11-14-5-3-4-6-16(14)17/h3-10,12,17H,11H2,1-2H3.
What are the key properties of 2-[(4-propan-2-yloxyphenyl)methyl]phenol?
2-[(4-propan-2-yloxyphenyl)methyl]phenol has a molecular weight of 242.32 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-yloxyphenyl)methyl]phenol is sourced from PubChem (CID 22145956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).