1-ethoxy-3-(2-methylprop-1-enyl)benzene

C12H16O — CID 139695062

IUPAC1-ethoxy-3-(2-methylprop-1-enyl)benzene
SMILESCCOc1cccc(C=C(C)C)c1
InChIInChI=1S/C12H16O/c1-4-13-12-7-5-6-11(9-12)8-10(2)3/h5-9H,4H2,1-3H3
InChIKeyPNHUKOJCRLQWDF-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.51
Rot. Bonds3

About 1-ethoxy-3-(2-methylprop-1-enyl)benzene

1-ethoxy-3-(2-methylprop-1-enyl)benzene (PubChem CID 139695062) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-ethoxy-3-(2-methylprop-1-enyl)benzene.

Molecular Properties

Compound Name1-ethoxy-3-(2-methylprop-1-enyl)benzene
PubChem CID139695062
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-ethoxy-3-(2-methylprop-1-enyl)benzene
SMILESCCOc1cccc(C=C(C)C)c1
InChIInChI=1S/C12H16O/c1-4-13-12-7-5-6-11(9-12)8-10(2)3/h5-9H,4H2,1-3H3
InChIKeyPNHUKOJCRLQWDF-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene
CID 170196705
3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341319
ethyl (E)-3-(3-ethoxyphenyl)-2-methylprop-2-enoate
CID 104503552
(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
CID 11073969
1-ethenyl-3-ethoxybenzene
CID 11672687
3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340193
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
1-ethoxy-3-(2-nitroethenyl)benzene
CID 76912992
3-(3-ethoxyphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 170801374
1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene
CID 57058324
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid
CID 83954778

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(2-methylprop-1-enyl)benzene?
The IUPAC name of 1-ethoxy-3-(2-methylprop-1-enyl)benzene (CID 139695062) is 1-ethoxy-3-(2-methylprop-1-enyl)benzene.
What is the SMILES notation for 1-ethoxy-3-(2-methylprop-1-enyl)benzene?
The canonical SMILES for 1-ethoxy-3-(2-methylprop-1-enyl)benzene is CCOc1cccc(C=C(C)C)c1.
What is the InChIKey of 1-ethoxy-3-(2-methylprop-1-enyl)benzene?
The InChIKey is PNHUKOJCRLQWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-4-13-12-7-5-6-11(9-12)8-10(2)3/h5-9H,4H2,1-3H3.
What are the key properties of 1-ethoxy-3-(2-methylprop-1-enyl)benzene?
1-ethoxy-3-(2-methylprop-1-enyl)benzene has a molecular weight of 176.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2-methylprop-1-enyl)benzene is sourced from PubChem (CID 139695062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).