(1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol

C19H22O2 — CID 57337591

IUPAC(1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol
SMILESC=Cc1c([C@@H](O)[C@@H](C=C)OC)cc(C)c2ccc(C)cc12
InChIInChI=1S/C19H22O2/c1-6-14-16-10-12(3)8-9-15(16)13(4)11-17(14)19(20)18(7-2)21-5/h6-11,18-20H,1-2H2,3-5H3/t18-,19-/m1/s1
InChIKeyXVXSBUUVFHNLKO-RTBURBONSA-N
MW282.38 g/mol
LogP4.33
Rot. Bonds5

About (1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol

(1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol (PubChem CID 57337591) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol
PubChem CID57337591
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol
SMILESC=Cc1c([C@@H](O)[C@@H](C=C)OC)cc(C)c2ccc(C)cc12
InChIInChI=1S/C19H22O2/c1-6-14-16-10-12(3)8-9-15(16)13(4)11-17(14)19(20)18(7-2)21-5/h6-11,18-20H,1-2H2,3-5H3/t18-,19-/m1/s1
InChIKeyXVXSBUUVFHNLKO-RTBURBONSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-5,7-dimethyl-2-propylnaphthalene
CID 143776422
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1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711931
1,2-bis(ethenyl)-4-methylbenzene;methoxymethane
CID 142804443
2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile
CID 142090428
3-ethenyl-1,2,5-trimethylindole
CID 89379856
1-(2-fluoro-4-methylphenyl)prop-2-en-1-ol
CID 115814697
1,6-dimethyl-4-propan-2-ylnaphthalene
CID 10225
1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol
CID 105083992
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
ethane;1-ethenyl-2-ethyl-7-methylnaphthalene
CID 142614708
2-methoxy-1,4,6-trimethylnaphthalene
CID 23166352

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol?
The IUPAC name of (1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol (CID 57337591) is (1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol.
What is the SMILES notation for (1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol?
The canonical SMILES for (1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol is C=Cc1c([C@@H](O)[C@@H](C=C)OC)cc(C)c2ccc(C)cc12.
What is the InChIKey of (1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol?
The InChIKey is XVXSBUUVFHNLKO-RTBURBONSA-N. The full InChI is InChI=1S/C19H22O2/c1-6-14-16-10-12(3)8-9-15(16)13(4)11-17(14)19(20)18(7-2)21-5/h6-11,18-20H,1-2H2,3-5H3/t18-,19-/m1/s1.
What are the key properties of (1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol?
(1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol has a molecular weight of 282.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(1-ethenyl-4,7-dimethylnaphthalen-2-yl)-2-methoxybut-3-en-1-ol is sourced from PubChem (CID 57337591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).