6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene

C21H22O2 — CID 163603106

IUPAC6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene
SMILESC=CCc1c(C2=CCC(OC)C=C2)ccc2cc(OC)ccc12
InChIInChI=1S/C21H22O2/c1-4-5-21-19(15-6-9-17(22-2)10-7-15)12-8-16-14-18(23-3)11-13-20(16)21/h4,6-9,11-14,17H,1,5,10H2,2-3H3
InChIKeyGZKDCXZUIDRRNB-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.94
Rot. Bonds5

About 6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene

6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene (PubChem CID 163603106) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene.

Molecular Properties

Compound Name6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene
PubChem CID163603106
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene
SMILESC=CCc1c(C2=CCC(OC)C=C2)ccc2cc(OC)ccc12
InChIInChI=1S/C21H22O2/c1-4-5-21-19(15-6-9-17(22-2)10-7-15)12-8-16-14-18(23-3)11-13-20(16)21/h4,6-9,11-14,17H,1,5,10H2,2-3H3
InChIKeyGZKDCXZUIDRRNB-UHFFFAOYSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene?
The IUPAC name of 6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene (CID 163603106) is 6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene.
What is the SMILES notation for 6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene?
The canonical SMILES for 6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene is C=CCc1c(C2=CCC(OC)C=C2)ccc2cc(OC)ccc12.
What is the InChIKey of 6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene?
The InChIKey is GZKDCXZUIDRRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c1-4-5-21-19(15-6-9-17(22-2)10-7-15)12-8-16-14-18(23-3)11-13-20(16)21/h4,6-9,11-14,17H,1,5,10H2,2-3H3.
What are the key properties of 6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene?
6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene has a molecular weight of 306.41 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene is sourced from PubChem (CID 163603106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).