1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol

C27H22O2 — CID 178030864

IUPAC1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol
SMILESC=C/C=C(\C=C)COc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C27H22O2/c1-3-9-19(4-2)18-29-25-17-15-21-11-6-8-13-23(21)27(25)26-22-12-7-5-10-20(22)14-16-24(26)28/h3-17,28H,1-2,18H2/b19-9+
InChIKeyJAXJUINEQAOCEI-DJKKODMXSA-N
MW378.47 g/mol
LogP7.04
Rot. Bonds6

About 1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol

1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol (PubChem CID 178030864) has the molecular formula C27H22O2 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol
PubChem CID178030864
Molecular FormulaC27H22O2
Molecular Weight378.47 g/mol
Exact Mass378.16
IUPAC Name1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol
SMILESC=C/C=C(\C=C)COc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C27H22O2/c1-3-9-19(4-2)18-29-25-17-15-21-11-6-8-13-23(21)27(25)26-22-12-7-5-10-20(22)14-16-24(26)28/h3-17,28H,1-2,18H2/b19-9+
InChIKeyJAXJUINEQAOCEI-DJKKODMXSA-N
XLogP7.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane
CID 160621443
1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol
CID 22935839
1-[2-[4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]naphthalen-2-ol
CID 12008941
4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate
CID 22913120
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] hypofluorite
CID 155278938
chromium;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;prop-1-ene
CID 10785807
1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol
CID 58560218
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
1-[2-[(2S)-3-[bis[(2S)-2-hydroxy-3-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxypropyl]amino]-2-hydroxypropoxy]naphthalen-1-yl]naphthalen-2-ol
CID 138964583
2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
CID 25112232
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate
CID 15162418
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol (CID 178030864) is 1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol is C=C/C=C(\C=C)COc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol?
The InChIKey is JAXJUINEQAOCEI-DJKKODMXSA-N. The full InChI is InChI=1S/C27H22O2/c1-3-9-19(4-2)18-29-25-17-15-21-11-6-8-13-23(21)27(25)26-22-12-7-5-10-20(22)14-16-24(26)28/h3-17,28H,1-2,18H2/b19-9+.
What are the key properties of 1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol?
1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol has a molecular weight of 378.47 g/mol, XLogP of 7.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 178030864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).