2-methylpropan-1-ol;phenol

C10H16O2 — CID 158335156

IUPAC2-methylpropan-1-ol;phenol
SMILESCC(C)CO.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H10O/c7-6-4-2-1-3-5-6;1-4(2)3-5/h1-5,7H;4-5H,3H2,1-2H3
InChIKeyGQMKARMJMGJGET-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.03
Rot. Bonds1

About 2-methylpropan-1-ol;phenol

2-methylpropan-1-ol;phenol (PubChem CID 158335156) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methylpropan-1-ol;phenol.

Molecular Properties

Compound Name2-methylpropan-1-ol;phenol
PubChem CID158335156
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methylpropan-1-ol;phenol
SMILESCC(C)CO.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H10O/c7-6-4-2-1-3-5-6;1-4(2)3-5/h1-5,7H;4-5H,3H2,1-2H3
InChIKeyGQMKARMJMGJGET-UHFFFAOYSA-N
XLogP2.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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phenol;propane-1,2-diol;prop-1-ene
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CID 90945596
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CID 90921217
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CID 142173645
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CID 174856624
ethane;phenol
CID 161156308
ethane-1,1-dithiol;ethane-1,2-dithiol;phenol
CID 158840178
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-ol;phenol?
The IUPAC name of 2-methylpropan-1-ol;phenol (CID 158335156) is 2-methylpropan-1-ol;phenol.
What is the SMILES notation for 2-methylpropan-1-ol;phenol?
The canonical SMILES for 2-methylpropan-1-ol;phenol is CC(C)CO.Oc1ccccc1.
What is the InChIKey of 2-methylpropan-1-ol;phenol?
The InChIKey is GQMKARMJMGJGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C4H10O/c7-6-4-2-1-3-5-6;1-4(2)3-5/h1-5,7H;4-5H,3H2,1-2H3.
What are the key properties of 2-methylpropan-1-ol;phenol?
2-methylpropan-1-ol;phenol has a molecular weight of 168.24 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-ol;phenol is sourced from PubChem (CID 158335156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).