[4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate

C19H28O4 — CID 173400083

IUPAC[4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate
SMILESCCCOC(=O)OC1CCC(O)(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C19H28O4/c1-3-5-15-6-8-16(9-7-15)19(21)12-10-17(11-13-19)23-18(20)22-14-4-2/h6-9,17,21H,3-5,10-14H2,1-2H3
InChIKeyCPLVQUVQWNZZKH-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.33
Rot. Bonds6

About [4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate

[4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate (PubChem CID 173400083) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is [4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate.

Molecular Properties

Compound Name[4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate
PubChem CID173400083
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Name[4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate
SMILESCCCOC(=O)OC1CCC(O)(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C19H28O4/c1-3-5-15-6-8-16(9-7-15)19(21)12-10-17(11-13-19)23-18(20)22-14-4-2/h6-9,17,21H,3-5,10-14H2,1-2H3
InChIKeyCPLVQUVQWNZZKH-UHFFFAOYSA-N
XLogP4.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-butoxyphenyl)-4-hydroxycyclohexyl] propyl carbonate
CID 173400108
[4-(4-butoxyphenyl)-4-hydroxycyclohexyl] butyl carbonate
CID 173400109
[4-hydroxy-4-(4-pentylphenyl)cyclohexyl] hydrogen carbonate
CID 67930268
hexyl [4-hydroxy-4-(4-methoxyphenyl)cyclohexyl] carbonate
CID 70405033
heptyl [4-hydroxy-4-(4-methoxyphenyl)cyclohexyl] carbonate
CID 173400227
propyl 4-(4-hexylphenyl)-4-hydroxycyclohexane-1-carboxylate
CID 19986794
methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate
CID 19986751
[4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxycyclohexyl] hexyl carbonate
CID 70403902
4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
CID 63406977
octyl 4-hydroxy-4-(4-octylphenyl)cyclohexane-1-carboxylate
CID 19986842
pentyl 4-hydroxy-4-(4-octylphenyl)cyclohexane-1-carboxylate
CID 19986833
heptyl 4-hydroxy-4-(4-octylphenyl)cyclohexane-1-carboxylate
CID 19986859

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate?
The IUPAC name of [4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate (CID 173400083) is [4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate.
What is the SMILES notation for [4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate?
The canonical SMILES for [4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate is CCCOC(=O)OC1CCC(O)(c2ccc(CCC)cc2)CC1.
What is the InChIKey of [4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate?
The InChIKey is CPLVQUVQWNZZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4/c1-3-5-15-6-8-16(9-7-15)19(21)12-10-17(11-13-19)23-18(20)22-14-4-2/h6-9,17,21H,3-5,10-14H2,1-2H3.
What are the key properties of [4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate?
[4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate has a molecular weight of 320.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate is sourced from PubChem (CID 173400083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).