methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate

C19H28O3 — CID 59134632

IUPACmethyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(COc2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C19H28O3/c1-14(2)12-15-6-10-18(11-7-15)22-13-16-4-8-17(9-5-16)19(20)21-3/h6-7,10-11,14,16-17H,4-5,8-9,12-13H2,1-3H3
InChIKeyDRDWDTJBTWHYDT-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.24
Rot. Bonds6

About methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate

methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate (PubChem CID 59134632) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate
PubChem CID59134632
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Namemethyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(COc2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C19H28O3/c1-14(2)12-15-6-10-18(11-7-15)22-13-16-4-8-17(9-5-16)19(20)21-3/h6-7,10-11,14,16-17H,4-5,8-9,12-13H2,1-3H3
InChIKeyDRDWDTJBTWHYDT-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethoxy)-4-(2-methylpropyl)benzene
CID 66792626
cis-(1S,3R)-3-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylic acid
CID 59134584
cis-methyl (1S,3R)-3-[[4-(2-methylpentyl)phenoxy]methyl]cyclohexane-1-carboxylate
CID 143473444
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutanoic acid
CID 120510622
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide
CID 10490793
methyl (2S,3S,7S)-2-[4-(2-methylpropyl)phenoxy]spiro[2.5]octane-7-carboxylate
CID 143472813
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene
CID 139813289
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296328
[4-(2-aminopropyl)phenyl] cyclopropanecarboxylate
CID 170864830
1-(cyclopropylmethoxymethyl)-4-(2-methylpropyl)benzene
CID 146471368

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate (CID 59134632) is methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(COc2ccc(CC(C)C)cc2)CC1.
What is the InChIKey of methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate?
The InChIKey is DRDWDTJBTWHYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3/c1-14(2)12-15-6-10-18(11-7-15)22-13-16-4-8-17(9-5-16)19(20)21-3/h6-7,10-11,14,16-17H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate?
methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate has a molecular weight of 304.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 59134632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).