1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene

C14H20O2 — CID 54032409

IUPAC1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene
SMILESCOc1ccccc1[C@H]1CCCC(OC)C1
InChIInChI=1S/C14H20O2/c1-15-12-7-5-6-11(10-12)13-8-3-4-9-14(13)16-2/h3-4,8-9,11-12H,5-7,10H2,1-2H3/t11-,12?/m0/s1
InChIKeyLGNHHUQPTOJCFO-PXYINDEMSA-N
MW220.31 g/mol
LogP3.37
Rot. Bonds3

About 1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene

1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene (PubChem CID 54032409) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene
PubChem CID54032409
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene
SMILESCOc1ccccc1[C@H]1CCCC(OC)C1
InChIInChI=1S/C14H20O2/c1-15-12-7-5-6-11(10-12)13-8-3-4-9-14(13)16-2/h3-4,8-9,11-12H,5-7,10H2,1-2H3/t11-,12?/m0/s1
InChIKeyLGNHHUQPTOJCFO-PXYINDEMSA-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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Related Compounds

1-methoxy-2-(3-methoxycyclohexyl)benzene
CID 20692480
1-(3-chlorocyclohexyl)-2-methoxybenzene
CID 64516358
1-chloro-3-(2-methoxyphenyl)cycloheptane
CID 64507062
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
3-(2-methoxyphenyl)cyclopentan-1-ol
CID 64516267
3-(2-methoxyphenyl)pyrrolidin-1-ide
CID 143249509
(1Z)-3-(2-methoxyphenyl)cyclooctene
CID 144754683
4-(2-methoxyphenyl)piperidine
CID 544738
4-(2-methoxyphenyl)oxane
CID 121009799
tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
CID 139378064
N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine
CID 43635319
1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene
CID 2327236

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene?
The IUPAC name of 1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene (CID 54032409) is 1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene.
What is the SMILES notation for 1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene?
The canonical SMILES for 1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene is COc1ccccc1[C@H]1CCCC(OC)C1.
What is the InChIKey of 1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene?
The InChIKey is LGNHHUQPTOJCFO-PXYINDEMSA-N. The full InChI is InChI=1S/C14H20O2/c1-15-12-7-5-6-11(10-12)13-8-3-4-9-14(13)16-2/h3-4,8-9,11-12H,5-7,10H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of 1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene?
1-methoxy-2-[(1S)-3-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-2-[(1S)-3-methoxycyclohexyl]benzene is sourced from PubChem (CID 54032409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).