1-methoxy-3-[(Z)-prop-1-enoxy]benzene

C10H12O2 — CID 643895

IUPAC1-methoxy-3-[(Z)-prop-1-enoxy]benzene
SMILESC/C=C\Oc1cccc(OC)c1
InChIInChI=1S/C10H12O2/c1-3-7-12-10-6-4-5-9(8-10)11-2/h3-8H,1-2H3/b7-3-
InChIKeyURCICGGHFYOYGT-CLTKARDFSA-N
MW164.20 g/mol
LogP2.61
Rot. Bonds3

About 1-methoxy-3-[(Z)-prop-1-enoxy]benzene

1-methoxy-3-[(Z)-prop-1-enoxy]benzene (PubChem CID 643895) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-methoxy-3-[(Z)-prop-1-enoxy]benzene.

Molecular Properties

Compound Name1-methoxy-3-[(Z)-prop-1-enoxy]benzene
PubChem CID643895
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1-methoxy-3-[(Z)-prop-1-enoxy]benzene
SMILESC/C=C\Oc1cccc(OC)c1
InChIInChI=1S/C10H12O2/c1-3-7-12-10-6-4-5-9(8-10)11-2/h3-8H,1-2H3/b7-3-
InChIKeyURCICGGHFYOYGT-CLTKARDFSA-N
XLogP2.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(Z)-prop-1-enoxy]benzene
CID 643746
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
ethane;1-methyl-3-[(E)-prop-1-enoxy]benzene;prop-1-ene
CID 143800942
3-methoxy-5-[(E)-2-(3-methoxyphenoxy)ethenyl]phenol
CID 24866672
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
CID 139245906
CID 139245906
(Z)-2-(3-methoxyphenyl)but-2-enenitrile
CID 10035075

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(Z)-prop-1-enoxy]benzene?
The IUPAC name of 1-methoxy-3-[(Z)-prop-1-enoxy]benzene (CID 643895) is 1-methoxy-3-[(Z)-prop-1-enoxy]benzene.
What is the SMILES notation for 1-methoxy-3-[(Z)-prop-1-enoxy]benzene?
The canonical SMILES for 1-methoxy-3-[(Z)-prop-1-enoxy]benzene is C/C=C\Oc1cccc(OC)c1.
What is the InChIKey of 1-methoxy-3-[(Z)-prop-1-enoxy]benzene?
The InChIKey is URCICGGHFYOYGT-CLTKARDFSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-7-12-10-6-4-5-9(8-10)11-2/h3-8H,1-2H3/b7-3-.
What are the key properties of 1-methoxy-3-[(Z)-prop-1-enoxy]benzene?
1-methoxy-3-[(Z)-prop-1-enoxy]benzene has a molecular weight of 164.20 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(Z)-prop-1-enoxy]benzene is sourced from PubChem (CID 643895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).