(1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene

C19H24O2 — CID 141401004

IUPAC(1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene
SMILESCOc1ccc(C=CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1OC
InChIInChI=1S/C19H24O2/c1-19(2)15-9-8-14(16(19)12-15)7-5-13-6-10-17(20-3)18(11-13)21-4/h5-8,10-11,15-16H,9,12H2,1-4H3/t15-,16-/m0/s1
InChIKeyDGUNZGWLIDOJOO-HOTGVXAUSA-N
MW284.40 g/mol
LogP4.71
Rot. Bonds4

About (1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene

(1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene (PubChem CID 141401004) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene.

Molecular Properties

Compound Name(1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene
PubChem CID141401004
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene
SMILESCOc1ccc(C=CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1OC
InChIInChI=1S/C19H24O2/c1-19(2)15-9-8-14(16(19)12-15)7-5-13-6-10-17(20-3)18(11-13)21-4/h5-8,10-11,15-16H,9,12H2,1-4H3/t15-,16-/m0/s1
InChIKeyDGUNZGWLIDOJOO-HOTGVXAUSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene with MolForge

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Related Compounds

3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol
CID 89099987
4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene
CID 101201572
1,2-dimethoxy-4-penta-1,3-dienylbenzene
CID 141114401
2-(3,4-dimethoxyphenyl)-N-methylethenamine
CID 174355717
[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-trimethylstannane
CID 10806085
2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102523511
(1E,4E)-1-(3,4-dimethoxyphenyl)-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-1,4-dien-3-one
CID 11638681
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol
CID 174881612
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol
CID 72723769
4-ethenyl-1,2-dimethoxybenzene
CID 159733418

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene?
The IUPAC name of (1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene (CID 141401004) is (1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene.
What is the SMILES notation for (1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene?
The canonical SMILES for (1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene is COc1ccc(C=CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1OC.
What is the InChIKey of (1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene?
The InChIKey is DGUNZGWLIDOJOO-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H24O2/c1-19(2)15-9-8-14(16(19)12-15)7-5-13-6-10-17(20-3)18(11-13)21-4/h5-8,10-11,15-16H,9,12H2,1-4H3/t15-,16-/m0/s1.
What are the key properties of (1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene?
(1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene has a molecular weight of 284.40 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene is sourced from PubChem (CID 141401004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).