(4-propylcyclohexyl)oxymethylbenzene

C16H24O — CID 147199890

IUPAC(4-propylcyclohexyl)oxymethylbenzene
SMILESCCCC1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C16H24O/c1-2-6-14-9-11-16(12-10-14)17-13-15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13H2,1H3
InChIKeyCDCJCTWLFSHXIE-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.56
Rot. Bonds5

About (4-propylcyclohexyl)oxymethylbenzene

(4-propylcyclohexyl)oxymethylbenzene (PubChem CID 147199890) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (4-propylcyclohexyl)oxymethylbenzene.

Molecular Properties

Compound Name(4-propylcyclohexyl)oxymethylbenzene
PubChem CID147199890
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(4-propylcyclohexyl)oxymethylbenzene
SMILESCCCC1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C16H24O/c1-2-6-14-9-11-16(12-10-14)17-13-15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13H2,1H3
InChIKeyCDCJCTWLFSHXIE-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-phenylmethoxycyclohexyl)butan-2-one
CID 67412875
1-(4-phenylmethoxycyclohexyl)butan-2-one
CID 91074255
azane;cyclopentyloxymethylbenzene
CID 69411306
N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride
CID 171784857
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
3-phenylmethoxycyclopentan-1-amine
CID 79421215
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
4-phenylmethoxyoxane
CID 66554133
(4-ethynylcyclohexyl)oxymethylbenzene
CID 168926601
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
[4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene
CID 89289517
1-oxido-4-phenylmethoxypiperidin-1-ium
CID 6374335

Frequently Asked Questions

What is the IUPAC name of (4-propylcyclohexyl)oxymethylbenzene?
The IUPAC name of (4-propylcyclohexyl)oxymethylbenzene (CID 147199890) is (4-propylcyclohexyl)oxymethylbenzene.
What is the SMILES notation for (4-propylcyclohexyl)oxymethylbenzene?
The canonical SMILES for (4-propylcyclohexyl)oxymethylbenzene is CCCC1CCC(OCc2ccccc2)CC1.
What is the InChIKey of (4-propylcyclohexyl)oxymethylbenzene?
The InChIKey is CDCJCTWLFSHXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-2-6-14-9-11-16(12-10-14)17-13-15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13H2,1H3.
What are the key properties of (4-propylcyclohexyl)oxymethylbenzene?
(4-propylcyclohexyl)oxymethylbenzene has a molecular weight of 232.37 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylcyclohexyl)oxymethylbenzene is sourced from PubChem (CID 147199890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).