4-(1-hydroxyethyl)-2-propan-2-ylphenol

C11H16O2 — CID 82265836

IUPAC4-(1-hydroxyethyl)-2-propan-2-ylphenol
SMILESCC(C)c1cc(C(C)O)ccc1O
InChIInChI=1S/C11H16O2/c1-7(2)10-6-9(8(3)12)4-5-11(10)13/h4-8,12-13H,1-3H3
InChIKeyVPFFFQLIPJMKFW-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.57
Rot. Bonds2

About 4-(1-hydroxyethyl)-2-propan-2-ylphenol

4-(1-hydroxyethyl)-2-propan-2-ylphenol (PubChem CID 82265836) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-2-propan-2-ylphenol
PubChem CID82265836
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(1-hydroxyethyl)-2-propan-2-ylphenol
SMILESCC(C)c1cc(C(C)O)ccc1O
InChIInChI=1S/C11H16O2/c1-7(2)10-6-9(8(3)12)4-5-11(10)13/h4-8,12-13H,1-3H3
InChIKeyVPFFFQLIPJMKFW-UHFFFAOYSA-N
XLogP2.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-di(propan-2-yl)phenol
CID 18048
(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol
CID 125467174
4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol
CID 19352790
2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
CID 178165672
2,4-di(propan-2-yl)phenol;methane;bis(1-methyl-2,4-di(propan-2-yl)benzene)
CID 162090917
2-amino-4-[(1R)-1-hydroxyethyl]phenol
CID 96570825
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
CID 171600588
2,5-dihydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 586439
2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
CID 117300056
2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid
CID 131037950
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 55295292

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-2-propan-2-ylphenol?
The IUPAC name of 4-(1-hydroxyethyl)-2-propan-2-ylphenol (CID 82265836) is 4-(1-hydroxyethyl)-2-propan-2-ylphenol.
What is the SMILES notation for 4-(1-hydroxyethyl)-2-propan-2-ylphenol?
The canonical SMILES for 4-(1-hydroxyethyl)-2-propan-2-ylphenol is CC(C)c1cc(C(C)O)ccc1O.
What is the InChIKey of 4-(1-hydroxyethyl)-2-propan-2-ylphenol?
The InChIKey is VPFFFQLIPJMKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7(2)10-6-9(8(3)12)4-5-11(10)13/h4-8,12-13H,1-3H3.
What are the key properties of 4-(1-hydroxyethyl)-2-propan-2-ylphenol?
4-(1-hydroxyethyl)-2-propan-2-ylphenol has a molecular weight of 180.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-2-propan-2-ylphenol is sourced from PubChem (CID 82265836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).