2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene

C14H20O — CID 178114077

IUPAC2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene
SMILESCCC(C)/C=C/c1ccc(C)c(OC)c1
InChIInChI=1S/C14H20O/c1-5-11(2)6-8-13-9-7-12(3)14(10-13)15-4/h6-11H,5H2,1-4H3/b8-6+
InChIKeyZQQDULDYCVRZRZ-SOFGYWHQSA-N
MW204.31 g/mol
LogP4.06
Rot. Bonds4

About 2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene

2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene (PubChem CID 178114077) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene.

Molecular Properties

Compound Name2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene
PubChem CID178114077
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene
SMILESCCC(C)/C=C/c1ccc(C)c(OC)c1
InChIInChI=1S/C14H20O/c1-5-11(2)6-8-13-9-7-12(3)14(10-13)15-4/h6-11H,5H2,1-4H3/b8-6+
InChIKeyZQQDULDYCVRZRZ-SOFGYWHQSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene
CID 142222347
3-(3-methoxy-4-methylphenyl)prop-2-enenitrile
CID 68959012
4-(4-chlorobut-1-enyl)-2-methoxy-1-methylbenzene
CID 170499056
1,7-bis(3-methoxy-4-methylphenyl)hepta-1,6-diene-3,5-dione
CID 58901396
5-(3-methoxy-4-methylphenyl)pent-4-enoic acid
CID 54082412
(E)-3-(3-methoxy-4-methylphenyl)prop-2-enal;(E)-3-(4-methoxy-3-methylphenyl)prop-2-enal
CID 161195090
4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol
CID 103092341
(E)-1-(3-methoxy-4-methylphenyl)-4,4-dimethylpent-1-en-3-one
CID 118135403
(2S)-4-(3,4-dimethoxyphenyl)but-3-ene-1,2-diol
CID 162958577
(1R)-1-(3-methoxy-4-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171205480
4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol
CID 102548714
acetonitrile;1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol;1-(3-methoxy-4-methylphenyl)propane-1,2-diol;2-methoxy-1-methyl-4-[(E)-prop-1-enyl]benzene;2-methoxy-4-[(E)-prop-1-enyl]phenol
CID 162108513

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene?
The IUPAC name of 2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene (CID 178114077) is 2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene.
What is the SMILES notation for 2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene?
The canonical SMILES for 2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene is CCC(C)/C=C/c1ccc(C)c(OC)c1.
What is the InChIKey of 2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene?
The InChIKey is ZQQDULDYCVRZRZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H20O/c1-5-11(2)6-8-13-9-7-12(3)14(10-13)15-4/h6-11H,5H2,1-4H3/b8-6+.
What are the key properties of 2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene?
2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene has a molecular weight of 204.31 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-4-[(E)-3-methylpent-1-enyl]benzene is sourced from PubChem (CID 178114077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).