ethane;4-propan-2-yloxyphenol

C11H18O2 — CID 142348653

IUPACethane;4-propan-2-yloxyphenol
SMILESCC.CC(C)Oc1ccc(O)cc1
InChIInChI=1S/C9H12O2.C2H6/c1-7(2)11-9-5-3-8(10)4-6-9;1-2/h3-7,10H,1-2H3;1-2H3
InChIKeyXBFVRBDONBIIAJ-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.21
Rot. Bonds2

About ethane;4-propan-2-yloxyphenol

ethane;4-propan-2-yloxyphenol (PubChem CID 142348653) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethane;4-propan-2-yloxyphenol.

Molecular Properties

Compound Nameethane;4-propan-2-yloxyphenol
PubChem CID142348653
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethane;4-propan-2-yloxyphenol
SMILESCC.CC(C)Oc1ccc(O)cc1
InChIInChI=1S/C9H12O2.C2H6/c1-7(2)11-9-5-3-8(10)4-6-9;1-2/h3-7,10H,1-2H3;1-2H3
InChIKeyXBFVRBDONBIIAJ-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-propan-2-yloxyphenyl)sulfanylphenol
CID 134238936
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
4-ethenylphenol;1-ethenyl-4-propan-2-yloxybenzene
CID 67420429
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
4-[4-(1-aminoethoxy)phenyl]phenol
CID 163497782
2,5-di(propan-2-yloxy)phenol
CID 57426094
4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol
CID 66718430
(Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83951842
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
fluoro 4-propan-2-yloxybenzoate
CID 174701102
methyl-(4-propan-2-yloxyphenyl)borinic acid
CID 67978500

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yloxyphenol?
The IUPAC name of ethane;4-propan-2-yloxyphenol (CID 142348653) is ethane;4-propan-2-yloxyphenol.
What is the SMILES notation for ethane;4-propan-2-yloxyphenol?
The canonical SMILES for ethane;4-propan-2-yloxyphenol is CC.CC(C)Oc1ccc(O)cc1.
What is the InChIKey of ethane;4-propan-2-yloxyphenol?
The InChIKey is XBFVRBDONBIIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C2H6/c1-7(2)11-9-5-3-8(10)4-6-9;1-2/h3-7,10H,1-2H3;1-2H3.
What are the key properties of ethane;4-propan-2-yloxyphenol?
ethane;4-propan-2-yloxyphenol has a molecular weight of 182.26 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yloxyphenol is sourced from PubChem (CID 142348653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).