2-(hydroxymethyl)phenol;pentane

C12H20O2 — CID 70619203

IUPAC2-(hydroxymethyl)phenol;pentane
SMILESCCCCC.OCc1ccccc1O
InChIInChI=1S/C7H8O2.C5H12/c8-5-6-3-1-2-4-7(6)9;1-3-5-4-2/h1-4,8-9H,5H2;3-5H2,1-2H3
InChIKeyNMSLGMBIWLLZSJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.08
Rot. Bonds3

About 2-(hydroxymethyl)phenol;pentane

2-(hydroxymethyl)phenol;pentane (PubChem CID 70619203) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)phenol;pentane.

Molecular Properties

Compound Name2-(hydroxymethyl)phenol;pentane
PubChem CID70619203
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(hydroxymethyl)phenol;pentane
SMILESCCCCC.OCc1ccccc1O
InChIInChI=1S/C7H8O2.C5H12/c8-5-6-3-1-2-4-7(6)9;1-3-5-4-2/h1-4,8-9H,5H2;3-5H2,1-2H3
InChIKeyNMSLGMBIWLLZSJ-UHFFFAOYSA-N
XLogP3.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)phenol;methane
CID 157439231
CID 137424646
CID 137424646
calcium;hydride;2-(hydroxymethyl)phenol
CID 173090882
cyclohexane;2-(hydroxymethyl)phenol
CID 174697635
formaldehyde;2-(hydroxymethyl)phenol
CID 69155710
2-dodecylphenol
CID 160834917
CID 158595082
CID 158595082
(2-octylphenyl)methanol
CID 19826681
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
2-nonylphenol;pentan-1-ol
CID 70367302
lithium;2-dodecylphenol;hydride
CID 174657819

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)phenol;pentane?
The IUPAC name of 2-(hydroxymethyl)phenol;pentane (CID 70619203) is 2-(hydroxymethyl)phenol;pentane.
What is the SMILES notation for 2-(hydroxymethyl)phenol;pentane?
The canonical SMILES for 2-(hydroxymethyl)phenol;pentane is CCCCC.OCc1ccccc1O.
What is the InChIKey of 2-(hydroxymethyl)phenol;pentane?
The InChIKey is NMSLGMBIWLLZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.C5H12/c8-5-6-3-1-2-4-7(6)9;1-3-5-4-2/h1-4,8-9H,5H2;3-5H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)phenol;pentane?
2-(hydroxymethyl)phenol;pentane has a molecular weight of 196.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)phenol;pentane is sourced from PubChem (CID 70619203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).