2-phenylmethoxypropan-1-ol

C10H14O2 — CID 561825

IUPAC2-phenylmethoxypropan-1-ol
SMILESCC(CO)OCc1ccccc1
InChIInChI=1S/C10H14O2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyBWCRDMRLKBPUTD-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.58
Rot. Bonds4

About 2-phenylmethoxypropan-1-ol

2-phenylmethoxypropan-1-ol (PubChem CID 561825) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name2-phenylmethoxypropan-1-ol
PubChem CID561825
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-phenylmethoxypropan-1-ol
SMILESCC(CO)OCc1ccccc1
InChIInChI=1S/C10H14O2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyBWCRDMRLKBPUTD-UHFFFAOYSA-N
XLogP1.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxypropan-1-ol?
The IUPAC name of 2-phenylmethoxypropan-1-ol (CID 561825) is 2-phenylmethoxypropan-1-ol.
What is the SMILES notation for 2-phenylmethoxypropan-1-ol?
The canonical SMILES for 2-phenylmethoxypropan-1-ol is CC(CO)OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxypropan-1-ol?
The InChIKey is BWCRDMRLKBPUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3.
What are the key properties of 2-phenylmethoxypropan-1-ol?
2-phenylmethoxypropan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxypropan-1-ol is sourced from PubChem (CID 561825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).