(4-ethoxyphenyl) (4-propylcyclohexyl) carbonate

C18H26O4 — CID 70557421

IUPAC(4-ethoxyphenyl) (4-propylcyclohexyl) carbonate
SMILESCCCC1CCC(OC(=O)Oc2ccc(OCC)cc2)CC1
InChIInChI=1S/C18H26O4/c1-3-5-14-6-8-16(9-7-14)21-18(19)22-17-12-10-15(11-13-17)20-4-2/h10-14,16H,3-9H2,1-2H3
InChIKeyRXKZDMNZPOFMQP-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.96
Rot. Bonds6

About (4-ethoxyphenyl) (4-propylcyclohexyl) carbonate

(4-ethoxyphenyl) (4-propylcyclohexyl) carbonate (PubChem CID 70557421) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is (4-ethoxyphenyl) (4-propylcyclohexyl) carbonate.

Molecular Properties

Compound Name(4-ethoxyphenyl) (4-propylcyclohexyl) carbonate
PubChem CID70557421
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name(4-ethoxyphenyl) (4-propylcyclohexyl) carbonate
SMILESCCCC1CCC(OC(=O)Oc2ccc(OCC)cc2)CC1
InChIInChI=1S/C18H26O4/c1-3-5-14-6-8-16(9-7-14)21-18(19)22-17-12-10-15(11-13-17)20-4-2/h10-14,16H,3-9H2,1-2H3
InChIKeyRXKZDMNZPOFMQP-UHFFFAOYSA-N
XLogP4.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[4-(2-fluoro-4-propylphenyl)phenyl] (4-propylcyclohexyl) carbonate
CID 70483752
bis[4-(4-propylcyclohexyl)cyclohexyl] carbonate
CID 70479427
(4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate
CID 70484285
[4-[4-(4-butylcyclohexyl)-2-fluorophenyl]phenyl] (4-propylcyclohexyl) carbonate
CID 70520736
[4-[3-(4-heptylcyclohexyl)propoxy]phenyl] 4-propylcyclohexane-1-carboxylate
CID 54472341
(4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate
CID 170842223
4-ethoxy-N-[(4-propylcyclohexylidene)amino]benzamide
CID 4109635
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate
CID 170898859
(4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6048720
1-ethoxy-4-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene
CID 58132107
(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
CID 65422984
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl) (4-propylcyclohexyl) carbonate?
The IUPAC name of (4-ethoxyphenyl) (4-propylcyclohexyl) carbonate (CID 70557421) is (4-ethoxyphenyl) (4-propylcyclohexyl) carbonate.
What is the SMILES notation for (4-ethoxyphenyl) (4-propylcyclohexyl) carbonate?
The canonical SMILES for (4-ethoxyphenyl) (4-propylcyclohexyl) carbonate is CCCC1CCC(OC(=O)Oc2ccc(OCC)cc2)CC1.
What is the InChIKey of (4-ethoxyphenyl) (4-propylcyclohexyl) carbonate?
The InChIKey is RXKZDMNZPOFMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-3-5-14-6-8-16(9-7-14)21-18(19)22-17-12-10-15(11-13-17)20-4-2/h10-14,16H,3-9H2,1-2H3.
What are the key properties of (4-ethoxyphenyl) (4-propylcyclohexyl) carbonate?
(4-ethoxyphenyl) (4-propylcyclohexyl) carbonate has a molecular weight of 306.40 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl) (4-propylcyclohexyl) carbonate is sourced from PubChem (CID 70557421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).