1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene

C14H20O3 — CID 21125479

IUPAC1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene
SMILESC=Cc1ccc(OC)c(OCC)c1OC(C)C
InChIInChI=1S/C14H20O3/c1-6-11-8-9-12(15-5)14(16-7-2)13(11)17-10(3)4/h6,8-10H,1,7H2,2-5H3
InChIKeyYOFNTRHABPCHMA-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.52
Rot. Bonds6

About 1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene

1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene (PubChem CID 21125479) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene
PubChem CID21125479
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene
SMILESC=Cc1ccc(OC)c(OCC)c1OC(C)C
InChIInChI=1S/C14H20O3/c1-6-11-8-9-12(15-5)14(16-7-2)13(11)17-10(3)4/h6,8-10H,1,7H2,2-5H3
InChIKeyYOFNTRHABPCHMA-UHFFFAOYSA-N
XLogP3.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethenyl-2-ethoxy-3-methoxybenzene
CID 11629687
1-ethenyl-3-ethoxy-4-methoxy-2-nitrobenzene
CID 91402986
1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene
CID 22186396
4-ethenyl-2-ethoxy-1-propan-2-yloxybenzene
CID 118269443
1-ethoxy-2-methoxynaphthalene
CID 45093938
3-ethoxy-1-iodo-2,4-dimethoxybenzene
CID 118835970
2-ethoxy-3-iodo-1,4-dimethoxybenzene
CID 118824660
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene
CID 23247260
2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 117467060
1,2-bis(ethenyl)-4-ethoxybenzene
CID 142802318
(E)-3-[4-methoxy-2,3-di(propan-2-yloxy)phenyl]-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 73056336

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene?
The IUPAC name of 1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene (CID 21125479) is 1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene.
What is the SMILES notation for 1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene?
The canonical SMILES for 1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene is C=Cc1ccc(OC)c(OCC)c1OC(C)C.
What is the InChIKey of 1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene?
The InChIKey is YOFNTRHABPCHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-6-11-8-9-12(15-5)14(16-7-2)13(11)17-10(3)4/h6,8-10H,1,7H2,2-5H3.
What are the key properties of 1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene?
1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene has a molecular weight of 236.31 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene is sourced from PubChem (CID 21125479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).