methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene

C13H22O3 — CID 91163567

IUPACmethoxymethane;(3-methoxyphenyl)methanol;prop-1-ene
SMILESC=CC.COC.COc1cccc(CO)c1
InChIInChI=1S/C8H10O2.C3H6.C2H6O/c1-10-8-4-2-3-7(5-8)6-9;2*1-3-2/h2-5,9H,6H2,1H3;3H,1H2,2H3;1-2H3
InChIKeyXTRSRVAVFWMMEV-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.64
Rot. Bonds2

About methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene

methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene (PubChem CID 91163567) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene.

Molecular Properties

Compound Namemethoxymethane;(3-methoxyphenyl)methanol;prop-1-ene
PubChem CID91163567
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Namemethoxymethane;(3-methoxyphenyl)methanol;prop-1-ene
SMILESC=CC.COC.COc1cccc(CO)c1
InChIInChI=1S/C8H10O2.C3H6.C2H6O/c1-10-8-4-2-3-7(5-8)6-9;2*1-3-2/h2-5,9H,6H2,1H3;3H,1H2,2H3;1-2H3
InChIKeyXTRSRVAVFWMMEV-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-methoxyphenyl)(113C)methanol
CID 11593446
2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol
CID 102641849
[3-(2-methoxyphenoxy)phenyl]methanol
CID 69315022
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene
CID 143526233
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
(3-methoxyphenyl)methanethiol
CID 10749403
ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 144848774
(2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]pentane-1,2,5-triol
CID 24769985
1-methoxy-3-propylbenzene
CID 14270128
fluoro hydrogen sulfate;1-methoxy-3-prop-2-enylbenzene
CID 175557929
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805

Frequently Asked Questions

What is the IUPAC name of methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene?
The IUPAC name of methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene (CID 91163567) is methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene.
What is the SMILES notation for methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene?
The canonical SMILES for methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene is C=CC.COC.COc1cccc(CO)c1.
What is the InChIKey of methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene?
The InChIKey is XTRSRVAVFWMMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C3H6.C2H6O/c1-10-8-4-2-3-7(5-8)6-9;2*1-3-2/h2-5,9H,6H2,1H3;3H,1H2,2H3;1-2H3.
What are the key properties of methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene?
methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene has a molecular weight of 226.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene is sourced from PubChem (CID 91163567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).