1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene

C17H26O — CID 141394597

IUPAC1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene
SMILESCCCC1CCC(Cc2ccccc2OC)CC1
InChIInChI=1S/C17H26O/c1-3-6-14-9-11-15(12-10-14)13-16-7-4-5-8-17(16)18-2/h4-5,7-8,14-15H,3,6,9-13H2,1-2H3
InChIKeyQRDDWXUKJZYGHQ-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.84
Rot. Bonds5

About 1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene

1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene (PubChem CID 141394597) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene
PubChem CID141394597
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene
SMILESCCCC1CCC(Cc2ccccc2OC)CC1
InChIInChI=1S/C17H26O/c1-3-6-14-9-11-15(12-10-14)13-16-7-4-5-8-17(16)18-2/h4-5,7-8,14-15H,3,6,9-13H2,1-2H3
InChIKeyQRDDWXUKJZYGHQ-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopent-3-en-1-ylmethyl)-2-methoxybenzene
CID 23391764
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
3-[(2-methoxyphenyl)methyl]cyclopentan-1-one
CID 64521537
1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene
CID 63473365
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
4-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 23009519
2-(cyclopropylmethyl)-1,3-dimethoxybenzene
CID 123548705
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032383
(2S,5S)-2-[4-methoxy-3-[(4-propylcyclohexyl)methyl]phenyl]-6-(phenoxymethyl)oxane-3,4,5-triol
CID 162169280
4-[3-(2-methoxyphenyl)propyl]piperidine
CID 22751111
N-[[2-[(2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81018226

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene?
The IUPAC name of 1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene (CID 141394597) is 1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene?
The canonical SMILES for 1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene is CCCC1CCC(Cc2ccccc2OC)CC1.
What is the InChIKey of 1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene?
The InChIKey is QRDDWXUKJZYGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-6-14-9-11-15(12-10-14)13-16-7-4-5-8-17(16)18-2/h4-5,7-8,14-15H,3,6,9-13H2,1-2H3.
What are the key properties of 1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene?
1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene has a molecular weight of 246.39 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene is sourced from PubChem (CID 141394597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).