1-[(E)-but-1-enyl]-2-propoxybenzene;methane

C14H22O — CID 159219180

IUPAC1-[(E)-but-1-enyl]-2-propoxybenzene;methane
SMILESC.CC/C=C/c1ccccc1OCCC
InChIInChI=1S/C13H18O.CH4/c1-3-5-8-12-9-6-7-10-13(12)14-11-4-2;/h5-10H,3-4,11H2,1-2H3;1H4/b8-5+;
InChIKeyKRLSCOAMDVDIOJ-HAAWTFQLSA-N
MW206.33 g/mol
LogP4.53
Rot. Bonds5

About 1-[(E)-but-1-enyl]-2-propoxybenzene;methane

1-[(E)-but-1-enyl]-2-propoxybenzene;methane (PubChem CID 159219180) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-2-propoxybenzene;methane.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-2-propoxybenzene;methane
PubChem CID159219180
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-[(E)-but-1-enyl]-2-propoxybenzene;methane
SMILESC.CC/C=C/c1ccccc1OCCC
InChIInChI=1S/C13H18O.CH4/c1-3-5-8-12-9-6-7-10-13(12)14-11-4-2;/h5-10H,3-4,11H2,1-2H3;1H4/b8-5+;
InChIKeyKRLSCOAMDVDIOJ-HAAWTFQLSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
2-[2-[(E)-but-1-enyl]phenoxy]acetic acid
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N-[(E)-4-(2-propoxyphenyl)but-3-enyl]cyclopropanamine
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(E)-3-(2-propoxyphenyl)prop-2-enamide
CID 82040605
1-[(E)-2-bromoethenyl]-2-butoxybenzene
CID 165465465
1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine
CID 67897520
(2-but-1-enylphenyl) dihydrogen phosphate
CID 66677779
1-(4-chlorobut-1-enyl)-2-ethoxybenzene
CID 79602930
propan-2-yl (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 102534792
4-(2-ethoxyphenyl)but-3-en-1-amine
CID 76997332
1-(6-chlorohexoxy)-2-propoxybenzene
CID 63499119

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-2-propoxybenzene;methane?
The IUPAC name of 1-[(E)-but-1-enyl]-2-propoxybenzene;methane (CID 159219180) is 1-[(E)-but-1-enyl]-2-propoxybenzene;methane.
What is the SMILES notation for 1-[(E)-but-1-enyl]-2-propoxybenzene;methane?
The canonical SMILES for 1-[(E)-but-1-enyl]-2-propoxybenzene;methane is C.CC/C=C/c1ccccc1OCCC.
What is the InChIKey of 1-[(E)-but-1-enyl]-2-propoxybenzene;methane?
The InChIKey is KRLSCOAMDVDIOJ-HAAWTFQLSA-N. The full InChI is InChI=1S/C13H18O.CH4/c1-3-5-8-12-9-6-7-10-13(12)14-11-4-2;/h5-10H,3-4,11H2,1-2H3;1H4/b8-5+;.
What are the key properties of 1-[(E)-but-1-enyl]-2-propoxybenzene;methane?
1-[(E)-but-1-enyl]-2-propoxybenzene;methane has a molecular weight of 206.33 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-2-propoxybenzene;methane is sourced from PubChem (CID 159219180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).