2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol

C12H18O2 — CID 117284776

IUPAC2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
SMILESCC(C)c1ccc(C(C)CO)c(O)c1
InChIInChI=1S/C12H18O2/c1-8(2)10-4-5-11(9(3)7-13)12(14)6-10/h4-6,8-9,13-14H,7H2,1-3H3
InChIKeyXXYSUAHMPAOEKB-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.61
Rot. Bonds3

About 2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol

2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol (PubChem CID 117284776) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
PubChem CID117284776
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
SMILESCC(C)c1ccc(C(C)CO)c(O)c1
InChIInChI=1S/C12H18O2/c1-8(2)10-4-5-11(9(3)7-13)12(14)6-10/h4-6,8-9,13-14H,7H2,1-3H3
InChIKeyXXYSUAHMPAOEKB-UHFFFAOYSA-N
XLogP2.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol
CID 117290732
5-propan-2-yl-2-(1-sulfanylethyl)phenol
CID 135213072
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
CID 71088611
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
CID 178165672
2,4-di(propan-2-yl)phenol
CID 18048
2-ethyl-5-propan-2-ylphenol
CID 45096246
2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol
CID 105425131
4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117435150
2-chloro-5-propan-2-ylphenol
CID 59596487
1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol
CID 68551781

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol?
The IUPAC name of 2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol (CID 117284776) is 2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol is CC(C)c1ccc(C(C)CO)c(O)c1.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol?
The InChIKey is XXYSUAHMPAOEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(2)10-4-5-11(9(3)7-13)12(14)6-10/h4-6,8-9,13-14H,7H2,1-3H3.
What are the key properties of 2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol?
2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol has a molecular weight of 194.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol is sourced from PubChem (CID 117284776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).