3-methoxy-3-phenoxypropan-1-ol

C10H14O3 — CID 119087893

IUPAC3-methoxy-3-phenoxypropan-1-ol
SMILESCOC(CCO)Oc1ccccc1
InChIInChI=1S/C10H14O3/c1-12-10(7-8-11)13-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKeyDQMBRQVWPVQIFI-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.42
Rot. Bonds5

About 3-methoxy-3-phenoxypropan-1-ol

3-methoxy-3-phenoxypropan-1-ol (PubChem CID 119087893) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-methoxy-3-phenoxypropan-1-ol.

Molecular Properties

Compound Name3-methoxy-3-phenoxypropan-1-ol
PubChem CID119087893
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-methoxy-3-phenoxypropan-1-ol
SMILESCOC(CCO)Oc1ccccc1
InChIInChI=1S/C10H14O3/c1-12-10(7-8-11)13-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKeyDQMBRQVWPVQIFI-UHFFFAOYSA-N
XLogP1.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[4-[2-[4-(3-hydroxy-1-phenoxypropoxy)phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-1-ol
CID 3035140
1-methoxydecoxybenzene
CID 24977925
(2R)-2-methoxy-2-phenoxyethanamine
CID 95474045
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
3-methylbutan-1-ol;phenoxybenzene
CID 175265119
3-methoxy-2-phenoxypropan-1-ol
CID 154118183
1-methoxyethoxybenzene
CID 18188895
anisole;2-(2-hydroxyethoxy)ethanol
CID 21463823
bis(2-hydroxyethanesulfonic acid);1-phenoxyhexoxybenzene
CID 175862088
2-(3,3-diphenoxypropyl)phenol
CID 66865819
anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159647110
ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol
CID 91197048

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-phenoxypropan-1-ol?
The IUPAC name of 3-methoxy-3-phenoxypropan-1-ol (CID 119087893) is 3-methoxy-3-phenoxypropan-1-ol.
What is the SMILES notation for 3-methoxy-3-phenoxypropan-1-ol?
The canonical SMILES for 3-methoxy-3-phenoxypropan-1-ol is COC(CCO)Oc1ccccc1.
What is the InChIKey of 3-methoxy-3-phenoxypropan-1-ol?
The InChIKey is DQMBRQVWPVQIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-12-10(7-8-11)13-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3.
What are the key properties of 3-methoxy-3-phenoxypropan-1-ol?
3-methoxy-3-phenoxypropan-1-ol has a molecular weight of 182.22 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-phenoxypropan-1-ol is sourced from PubChem (CID 119087893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).