methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate

C19H28O2 — CID 70501855

IUPACmethyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate
SMILESCCCC1CCC(c2ccc(C(C)C(=O)OC)cc2)CC1
InChIInChI=1S/C19H28O2/c1-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19(20)21-3/h10-15,17H,4-9H2,1-3H3
InChIKeyQDAPUSPHQHPHTC-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.04
Rot. Bonds5

About methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate

methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate (PubChem CID 70501855) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate
PubChem CID70501855
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Namemethyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate
SMILESCCCC1CCC(c2ccc(C(C)C(=O)OC)cc2)CC1
InChIInChI=1S/C19H28O2/c1-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19(20)21-3/h10-15,17H,4-9H2,1-3H3
InChIKeyQDAPUSPHQHPHTC-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-methyl-2-[[3-methyl-2-[[4-(4-propylcyclohexyl)benzoyl]amino]butanoyl]amino]butanoate
CID 22422562
methyl (2R)-3-methyl-2-[[(2R)-3-methyl-2-[[4-(4-propylcyclohexyl)benzoyl]amino]butanoyl]amino]butanoate
CID 92654644
carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene
CID 70401958
3-[4-[4-(4-propylcyclohexyl)phenyl]benzoyl]oxybutan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]benzoate
CID 18606933
N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide
CID 3577393
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate
CID 19986650
S-[4-(4-propylcyclohexyl)phenyl] 4-(difluoromethyl)benzenecarbothioate
CID 19436331
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309
1-[4-(4-propylcyclohexyl)phenyl]hexane-1,3-dione
CID 20503141
methyl 2-(4-propylphenyl)propanoate
CID 62801402

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate?
The IUPAC name of methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate (CID 70501855) is methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate.
What is the SMILES notation for methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate?
The canonical SMILES for methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate is CCCC1CCC(c2ccc(C(C)C(=O)OC)cc2)CC1.
What is the InChIKey of methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate?
The InChIKey is QDAPUSPHQHPHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19(20)21-3/h10-15,17H,4-9H2,1-3H3.
What are the key properties of methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate?
methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate has a molecular weight of 288.43 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate is sourced from PubChem (CID 70501855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).