4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile

C27H23NO4 — CID 42609834

IUPAC4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile
SMILESN#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CCOCC4)c3)cc2c1
InChIInChI=1S/C27H23NO4/c28-16-20-12-22-15-24(4-5-25(22)26(14-20)21-6-9-31-18-21)32-17-19-2-1-3-23(13-19)27(29)7-10-30-11-8-27/h1-6,9,12-15,18,29H,7-8,10-11,17H2
InChIKeyORLBSUXVKNWEPA-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.55
Rot. Bonds5

About 4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile

4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile (PubChem CID 42609834) has the molecular formula C27H23NO4 and a molecular weight of 425.48 g/mol. Its IUPAC name is 4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile
PubChem CID42609834
Molecular FormulaC27H23NO4
Molecular Weight425.48 g/mol
Exact Mass425.16
IUPAC Name4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile
SMILESN#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CCOCC4)c3)cc2c1
InChIInChI=1S/C27H23NO4/c28-16-20-12-22-15-24(4-5-25(22)26(14-20)21-6-9-31-18-21)32-17-19-2-1-3-23(13-19)27(29)7-10-30-11-8-27/h1-6,9,12-15,18,29H,7-8,10-11,17H2
InChIKeyORLBSUXVKNWEPA-UHFFFAOYSA-N
XLogP5.55
TPSA75.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile
CID 10646090
4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol
CID 10527001
4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol
CID 10672772
6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
CID 11799435
4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane
CID 10427847
7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile
CID 23370223
4-(furan-3-yl)-7-[[3-(3-hydroxy-2-methoxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]methoxy]-3-(hydroxymethyl)naphthalene-2-carboxylic acid
CID 57224814
3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 86954115
8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 14985908
7-[[3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenoxy]methyl]-4-(furan-3-yl)quinoline-2-carbonitrile
CID 19427019
7-[[3-(4-methoxyoxan-4-yl)phenyl]methoxy]imidazo[1,2-a]quinoline
CID 24876307
4-[(3-methylphenyl)methoxy]benzonitrile
CID 2226315

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile?
The IUPAC name of 4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile (CID 42609834) is 4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile.
What is the SMILES notation for 4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile?
The canonical SMILES for 4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile is N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CCOCC4)c3)cc2c1.
What is the InChIKey of 4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile?
The InChIKey is ORLBSUXVKNWEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4/c28-16-20-12-22-15-24(4-5-25(22)26(14-20)21-6-9-31-18-21)32-17-19-2-1-3-23(13-19)27(29)7-10-30-11-8-27/h1-6,9,12-15,18,29H,7-8,10-11,17H2.
What are the key properties of 4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile?
4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile has a molecular weight of 425.48 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile is sourced from PubChem (CID 42609834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).