1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene

C18H22O3 — CID 173233651

IUPAC1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene
SMILESCOc1ccc(COC2C=CC=C(OCC3CC3)C2)cc1
InChIInChI=1S/C18H22O3/c1-19-16-9-7-15(8-10-16)13-21-18-4-2-3-17(11-18)20-12-14-5-6-14/h2-4,7-10,14,18H,5-6,11-13H2,1H3
InChIKeyXCWMNRYNNFGUIO-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.85
Rot. Bonds7

About 1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene

1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene (PubChem CID 173233651) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene
PubChem CID173233651
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene
SMILESCOc1ccc(COC2C=CC=C(OCC3CC3)C2)cc1
InChIInChI=1S/C18H22O3/c1-19-16-9-7-15(8-10-16)13-21-18-4-2-3-17(11-18)20-12-14-5-6-14/h2-4,7-10,14,18H,5-6,11-13H2,1H3
InChIKeyXCWMNRYNNFGUIO-UHFFFAOYSA-N
XLogP3.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene?
The IUPAC name of 1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene (CID 173233651) is 1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene?
The canonical SMILES for 1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene is COc1ccc(COC2C=CC=C(OCC3CC3)C2)cc1.
What is the InChIKey of 1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene?
The InChIKey is XCWMNRYNNFGUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-19-16-9-7-15(8-10-16)13-21-18-4-2-3-17(11-18)20-12-14-5-6-14/h2-4,7-10,14,18H,5-6,11-13H2,1H3.
What are the key properties of 1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene?
1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene has a molecular weight of 286.37 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl]-4-methoxybenzene is sourced from PubChem (CID 173233651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).