(1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol

C17H22O3 — CID 134978430

IUPAC(1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol
SMILESCOCC(=C=C1CCCC[C@H]1O)c1ccccc1OC
InChIInChI=1S/C17H22O3/c1-19-12-14(11-13-7-3-5-9-16(13)18)15-8-4-6-10-17(15)20-2/h4,6,8,10,16,18H,3,5,7,9,12H2,1-2H3/t11?,16-/m1/s1
InChIKeyXLJPAFIXIGPAMB-WVQRXBFSSA-N
MW274.36 g/mol
LogP3.19
Rot. Bonds4

About (1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol

(1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol (PubChem CID 134978430) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is (1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol
PubChem CID134978430
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name(1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol
SMILESCOCC(=C=C1CCCC[C@H]1O)c1ccccc1OC
InChIInChI=1S/C17H22O3/c1-19-12-14(11-13-7-3-5-9-16(13)18)15-8-4-6-10-17(15)20-2/h4,6,8,10,16,18H,3,5,7,9,12H2,1-2H3/t11?,16-/m1/s1
InChIKeyXLJPAFIXIGPAMB-WVQRXBFSSA-N
XLogP3.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol?
The IUPAC name of (1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol (CID 134978430) is (1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol.
What is the SMILES notation for (1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol?
The canonical SMILES for (1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol is COCC(=C=C1CCCC[C@H]1O)c1ccccc1OC.
What is the InChIKey of (1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol?
The InChIKey is XLJPAFIXIGPAMB-WVQRXBFSSA-N. The full InChI is InChI=1S/C17H22O3/c1-19-12-14(11-13-7-3-5-9-16(13)18)15-8-4-6-10-17(15)20-2/h4,6,8,10,16,18H,3,5,7,9,12H2,1-2H3/t11?,16-/m1/s1.
What are the key properties of (1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol?
(1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[3-methoxy-2-(2-methoxyphenyl)prop-1-enylidene]cyclohexan-1-ol is sourced from PubChem (CID 134978430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).