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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
1-decoxy-4-[4-[(1R,2S)-2-methoxycyclohexyl]phenyl]benzene
CID 56637066
1-[(1R,2S)-2-methoxycyclohexyl]-4-(4-nonoxyphenyl)benzene
CID 56632002
2-[4-(4-methoxyphenyl)phenyl]cyclopentan-1-amine
CID 69111845
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
CID 82242717
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 82244560
3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 53407712
cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 162294814
1-(2-chlorocyclopropyl)-4-methoxybenzene
CID 53421606
9-(4-methoxyphenyl)-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
CID 15123211

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).