1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene

C14H20O2 — CID 138979383

IUPAC1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
SMILESCOc1ccc([C@@H]2CCCC[C@H]2OC)cc1
InChIInChI=1S/C14H20O2/c1-15-12-9-7-11(8-10-12)13-5-3-4-6-14(13)16-2/h7-10,13-14H,3-6H2,1-2H3/t13-,14+/m0/s1
InChIKeySEGVCQJOBCUCMS-UONOGXRCSA-N
MW220.31 g/mol
LogP3.37
Rot. Bonds3

About 1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene

1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene (PubChem CID 138979383) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
PubChem CID138979383
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
SMILESCOc1ccc([C@@H]2CCCC[C@H]2OC)cc1
InChIInChI=1S/C14H20O2/c1-15-12-9-7-11(8-10-12)13-5-3-4-6-14(13)16-2/h7-10,13-14H,3-6H2,1-2H3/t13-,14+/m0/s1
InChIKeySEGVCQJOBCUCMS-UONOGXRCSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene?
The IUPAC name of 1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene (CID 138979383) is 1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene?
The canonical SMILES for 1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene is COc1ccc([C@@H]2CCCC[C@H]2OC)cc1.
What is the InChIKey of 1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene?
The InChIKey is SEGVCQJOBCUCMS-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20O2/c1-15-12-9-7-11(8-10-12)13-5-3-4-6-14(13)16-2/h7-10,13-14H,3-6H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of 1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene?
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene has a molecular weight of 220.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene is sourced from PubChem (CID 138979383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).