2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene

C28H30O2 — CID 173224247

IUPAC2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene
SMILESC=Cc1cc2ccccc2cc1OC(C)C.CC(C)Oc1ccc2ccccc2c1
InChIInChI=1S/C15H16O.C13H14O/c1-4-12-9-13-7-5-6-8-14(13)10-15(12)16-11(2)3;1-10(2)14-13-8-7-11-5-3-4-6-12(11)9-13/h4-11H,1H2,2-3H3;3-10H,1-2H3
InChIKeyRDRUJFGEQHNWIZ-UHFFFAOYSA-N
MW398.55 g/mol
LogP7.90
Rot. Bonds5

About 2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene

2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene (PubChem CID 173224247) has the molecular formula C28H30O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene.

Molecular Properties

Compound Name2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene
PubChem CID173224247
Molecular FormulaC28H30O2
Molecular Weight398.55 g/mol
Exact Mass398.22
IUPAC Name2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene
SMILESC=Cc1cc2ccccc2cc1OC(C)C.CC(C)Oc1ccc2ccccc2c1
InChIInChI=1S/C15H16O.C13H14O/c1-4-12-9-13-7-5-6-8-14(13)10-15(12)16-11(2)3;1-10(2)14-13-8-7-11-5-3-4-6-12(11)9-13/h4-11H,1H2,2-3H3;3-10H,1-2H3
InChIKeyRDRUJFGEQHNWIZ-UHFFFAOYSA-N
XLogP7.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene
CID 101431014
2-ethenyl-4-fluoro-1-propan-2-yloxybenzene
CID 25197210
1-ethenyl-2-fluoro-4-propan-2-yloxybenzene
CID 175665867
2-naphthalen-2-yloxypropane-1,1-diol
CID 91391237
2,3-bis(ethenyl)naphthalene;ethane
CID 142152066
(E)-3-(2-ethenyl-4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 66845513
1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene
CID 175665810
2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium
CID 87580087
(2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate
CID 118222401
4-naphthalen-2-yloxypentan-2-ol
CID 64720616
3-[2,4-di(propan-2-yloxy)phenyl]prop-2-enoic acid
CID 70019148
1-naphthalen-2-yloxypropan-2-ol
CID 2793897

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene?
The IUPAC name of 2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene (CID 173224247) is 2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene.
What is the SMILES notation for 2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene?
The canonical SMILES for 2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene is C=Cc1cc2ccccc2cc1OC(C)C.CC(C)Oc1ccc2ccccc2c1.
What is the InChIKey of 2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene?
The InChIKey is RDRUJFGEQHNWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C13H14O/c1-4-12-9-13-7-5-6-8-14(13)10-15(12)16-11(2)3;1-10(2)14-13-8-7-11-5-3-4-6-12(11)9-13/h4-11H,1H2,2-3H3;3-10H,1-2H3.
What are the key properties of 2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene?
2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene has a molecular weight of 398.55 g/mol, XLogP of 7.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene is sourced from PubChem (CID 173224247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).