6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene

C24H26O — CID 130316858

IUPAC6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene
SMILESC=C/C=C(\C=C)c1cccc(COc2ccc3c(c2)CCCC3)c1C
InChIInChI=1S/C24H26O/c1-4-9-19(5-2)24-13-8-12-22(18(24)3)17-25-23-15-14-20-10-6-7-11-21(20)16-23/h4-5,8-9,12-16H,1-2,6-7,10-11,17H2,3H3/b19-9+
InChIKeyHAFZJDPRAISWGB-DJKKODMXSA-N
MW330.47 g/mol
LogP6.21
Rot. Bonds6

About 6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene

6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene (PubChem CID 130316858) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is 6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene
PubChem CID130316858
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene
SMILESC=C/C=C(\C=C)c1cccc(COc2ccc3c(c2)CCCC3)c1C
InChIInChI=1S/C24H26O/c1-4-9-19(5-2)24-13-8-12-22(18(24)3)17-25-23-15-14-20-10-6-7-11-21(20)16-23/h4-5,8-9,12-16H,1-2,6-7,10-11,17H2,3H3/b19-9+
InChIKeyHAFZJDPRAISWGB-DJKKODMXSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene (CID 130316858) is 6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene is C=C/C=C(\C=C)c1cccc(COc2ccc3c(c2)CCCC3)c1C.
What is the InChIKey of 6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is HAFZJDPRAISWGB-DJKKODMXSA-N. The full InChI is InChI=1S/C24H26O/c1-4-9-19(5-2)24-13-8-12-22(18(24)3)17-25-23-15-14-20-10-6-7-11-21(20)16-23/h4-5,8-9,12-16H,1-2,6-7,10-11,17H2,3H3/b19-9+.
What are the key properties of 6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene?
6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 330.47 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-methylphenyl]methoxy]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 130316858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).