[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene

C14H20O — CID 168960565

IUPAC[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
SMILESC[C@H]1CCCC[C@H]1OCc1ccccc1
InChIInChI=1S/C14H20O/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3/t12-,14+/m0/s1
InChIKeyNXMSXDJPXRWJPR-GXTWGEPZSA-N
MW204.31 g/mol
LogP3.78
Rot. Bonds3

About [(1R,2S)-2-methylcyclohexyl]oxymethylbenzene

[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene (PubChem CID 168960565) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is [(1R,2S)-2-methylcyclohexyl]oxymethylbenzene.

Molecular Properties

Compound Name[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
PubChem CID168960565
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
SMILESC[C@H]1CCCC[C@H]1OCc1ccccc1
InChIInChI=1S/C14H20O/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3/t12-,14+/m0/s1
InChIKeyNXMSXDJPXRWJPR-GXTWGEPZSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
4-methyl-3-phenylmethoxypiperidine
CID 102954119
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
ethane;3-(2-methylcyclopentyl)oxypropylbenzene
CID 145106111
(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 58651111
cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene
CID 142842449
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197
2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 21034227
N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 105349289

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-methylcyclohexyl]oxymethylbenzene?
The IUPAC name of [(1R,2S)-2-methylcyclohexyl]oxymethylbenzene (CID 168960565) is [(1R,2S)-2-methylcyclohexyl]oxymethylbenzene.
What is the SMILES notation for [(1R,2S)-2-methylcyclohexyl]oxymethylbenzene?
The canonical SMILES for [(1R,2S)-2-methylcyclohexyl]oxymethylbenzene is C[C@H]1CCCC[C@H]1OCc1ccccc1.
What is the InChIKey of [(1R,2S)-2-methylcyclohexyl]oxymethylbenzene?
The InChIKey is NXMSXDJPXRWJPR-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H20O/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3/t12-,14+/m0/s1.
What are the key properties of [(1R,2S)-2-methylcyclohexyl]oxymethylbenzene?
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene has a molecular weight of 204.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-methylcyclohexyl]oxymethylbenzene is sourced from PubChem (CID 168960565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).