2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal

C37H42O6 — CID 145418893

IUPAC2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal
SMILESC=C(C)C=O.C=C(C=O)C(C)C.COc1ccc(OCCOc2ccc(-c3ccc4cc(OC)ccc4c3)cc2C)cc1
InChIInChI=1S/C27H26O4.C6H10O.C4H6O/c1-19-16-20(21-4-5-23-18-26(29-3)8-6-22(23)17-21)7-13-27(19)31-15-14-30-25-11-9-24(28-2)10-12-25;1-5(2)6(3)4-7;1-4(2)3-5/h4-13,16-18H,14-15H2,1-3H3;4-5H,3H2,1-2H3;3H,1H2,2H3
InChIKeyUDXPOOHVDNAARS-UHFFFAOYSA-N
MW582.74 g/mol
LogP8.45
Rot. Bonds11

About 2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal

2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal (PubChem CID 145418893) has the molecular formula C37H42O6 and a molecular weight of 582.74 g/mol. Its IUPAC name is 2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal.

Molecular Properties

Compound Name2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal
PubChem CID145418893
Molecular FormulaC37H42O6
Molecular Weight582.74 g/mol
Exact Mass582.30
IUPAC Name2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal
SMILESC=C(C)C=O.C=C(C=O)C(C)C.COc1ccc(OCCOc2ccc(-c3ccc4cc(OC)ccc4c3)cc2C)cc1
InChIInChI=1S/C27H26O4.C6H10O.C4H6O/c1-19-16-20(21-4-5-23-18-26(29-3)8-6-22(23)17-21)7-13-27(19)31-15-14-30-25-11-9-24(28-2)10-12-25;1-5(2)6(3)4-7;1-4(2)3-5/h4-13,16-18H,14-15H2,1-3H3;4-5H,3H2,1-2H3;3H,1H2,2H3
InChIKeyUDXPOOHVDNAARS-UHFFFAOYSA-N
XLogP8.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.74
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
CID 67511777
3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial
CID 143134506
2-methoxy-6-(3-methoxy-4-methylphenyl)naphthalene
CID 57012474
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
1-dodecoxy-4-[4-(4-dodecoxyphenyl)phenyl]-2-methylbenzene
CID 59593849
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
2-ethyl-4-(6-methoxynaphthalen-2-yl)phenol
CID 57242092
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
CID 58556071
2-[4-[2-fluoro-4-[3-methyl-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 169027175
[3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate
CID 144761458
[4-[6-[2-[3,4-di(prop-2-enoyloxy)phenoxy]ethoxy]naphthalen-2-yl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 122424873

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal?
The IUPAC name of 2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal (CID 145418893) is 2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal.
What is the SMILES notation for 2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal?
The canonical SMILES for 2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal is C=C(C)C=O.C=C(C=O)C(C)C.COc1ccc(OCCOc2ccc(-c3ccc4cc(OC)ccc4c3)cc2C)cc1.
What is the InChIKey of 2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal?
The InChIKey is UDXPOOHVDNAARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O4.C6H10O.C4H6O/c1-19-16-20(21-4-5-23-18-26(29-3)8-6-22(23)17-21)7-13-27(19)31-15-14-30-25-11-9-24(28-2)10-12-25;1-5(2)6(3)4-7;1-4(2)3-5/h4-13,16-18H,14-15H2,1-3H3;4-5H,3H2,1-2H3;3H,1H2,2H3.
What are the key properties of 2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal?
2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal has a molecular weight of 582.74 g/mol, XLogP of 8.45, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[4-[2-(4-methoxyphenoxy)ethoxy]-3-methylphenyl]naphthalene;3-methyl-2-methylidenebutanal;2-methylprop-2-enal is sourced from PubChem (CID 145418893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).