methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate

C17H24O3 — CID 19986751

IUPACmethyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate
SMILESCCCc1ccc(C2(O)CCC(C(=O)OC)CC2)cc1
InChIInChI=1S/C17H24O3/c1-3-4-13-5-7-15(8-6-13)17(19)11-9-14(10-12-17)16(18)20-2/h5-8,14,19H,3-4,9-12H2,1-2H3
InChIKeyIWYMJMDMNXGCDZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.19
Rot. Bonds4

About methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate

methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate (PubChem CID 19986751) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate
PubChem CID19986751
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Namemethyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate
SMILESCCCc1ccc(C2(O)CCC(C(=O)OC)CC2)cc1
InChIInChI=1S/C17H24O3/c1-3-4-13-5-7-15(8-6-13)17(19)11-9-14(10-12-17)16(18)20-2/h5-8,14,19H,3-4,9-12H2,1-2H3
InChIKeyIWYMJMDMNXGCDZ-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 4-(4-butylphenyl)-4-hydroxycyclohexane-1-carboxylate
CID 19986675
propyl 4-(4-hexylphenyl)-4-hydroxycyclohexane-1-carboxylate
CID 19986794
pentyl 4-hydroxy-4-(4-octylphenyl)cyclohexane-1-carboxylate
CID 19986833
octyl 4-hydroxy-4-(4-octylphenyl)cyclohexane-1-carboxylate
CID 19986842
heptyl 4-hydroxy-4-(4-octylphenyl)cyclohexane-1-carboxylate
CID 19986859
4-hydroxy-4-(4-pentylphenyl)cyclohexane-1-carboxylic acid
CID 23181686
4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
CID 63406977
[4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate
CID 173400083
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
[4-hydroxy-4-(4-pentylphenyl)cyclohexyl] hydrogen carbonate
CID 67930268
4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol
CID 65085797

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate (CID 19986751) is methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate is CCCc1ccc(C2(O)CCC(C(=O)OC)CC2)cc1.
What is the InChIKey of methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate?
The InChIKey is IWYMJMDMNXGCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-4-13-5-7-15(8-6-13)17(19)11-9-14(10-12-17)16(18)20-2/h5-8,14,19H,3-4,9-12H2,1-2H3.
What are the key properties of methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate?
methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 19986751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).