[4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate

C22H26O4 — CID 67954843

IUPAC[4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate
SMILESCCCc1cc(O)ccc1C(=O)OC1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H26O4/c1-2-3-17-14-19(24)10-13-21(17)22(25)26-20-11-6-16(7-12-20)15-4-8-18(23)9-5-15/h4-5,8-10,13-14,16,20,23-24H,2-3,6-7,11-12H2,1H3
InChIKeyGUUUTCQQECOYEJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.93
Rot. Bonds5

About [4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate

[4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate (PubChem CID 67954843) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate
PubChem CID67954843
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name[4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate
SMILESCCCc1cc(O)ccc1C(=O)OC1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H26O4/c1-2-3-17-14-19(24)10-13-21(17)22(25)26-20-11-6-16(7-12-20)15-4-8-18(23)9-5-15/h4-5,8-10,13-14,16,20,23-24H,2-3,6-7,11-12H2,1H3
InChIKeyGUUUTCQQECOYEJ-UHFFFAOYSA-N
XLogP4.93
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 4-hydroxy-2-propylbenzoate
CID 70366089
[4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate
CID 122470150
sodium;4-hydroxy-2-propylbenzoate;trihydrate
CID 67564094
(4-fluorocyclohexyl) 2-fluoro-4-(4-heptylcyclohexyl)benzoate
CID 175685161
ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641178
(4-propylcyclohexyl) 4-(4-butylcyclohexyl)benzoate
CID 3085888
cyclopropyl 4-hydroxybenzoate
CID 175929910
4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
CID 70586681
[4-(4-aminophenyl)cyclohexyl] butanoate
CID 175259325
4-hydroxy-2-[4-(4-propylcyclohexyl)phenyl]benzoic acid
CID 67406965
(4-methylcyclohexyl) 4-(4-octylcyclohexyl)benzoate
CID 23334882
[4-[4-(4-but-3-enylphenyl)phenyl]cyclohexyl] 4-ethoxy-2,3-difluorobenzoate
CID 154607310

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate?
The IUPAC name of [4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate (CID 67954843) is [4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate.
What is the SMILES notation for [4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate?
The canonical SMILES for [4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate is CCCc1cc(O)ccc1C(=O)OC1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate?
The InChIKey is GUUUTCQQECOYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-2-3-17-14-19(24)10-13-21(17)22(25)26-20-11-6-16(7-12-20)15-4-8-18(23)9-5-15/h4-5,8-10,13-14,16,20,23-24H,2-3,6-7,11-12H2,1H3.
What are the key properties of [4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate?
[4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate has a molecular weight of 354.45 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)cyclohexyl] 4-hydroxy-2-propylbenzoate is sourced from PubChem (CID 67954843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).