[4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate

C22H26O6 — CID 163462511

IUPAC[4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate
SMILESCOc1ccc(C(O)Oc2ccc(OC(=O)C3CCC(OC)CC3)cc2)cc1
InChIInChI=1S/C22H26O6/c1-25-17-7-3-15(4-8-17)21(23)27-19-11-13-20(14-12-19)28-22(24)16-5-9-18(26-2)10-6-16/h3-4,7-8,11-14,16,18,21,23H,5-6,9-10H2,1-2H3
InChIKeyBPULUNDOYDBWOS-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.88
Rot. Bonds7

About [4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate

[4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate (PubChem CID 163462511) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is [4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name[4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate
PubChem CID163462511
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name[4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate
SMILESCOc1ccc(C(O)Oc2ccc(OC(=O)C3CCC(OC)CC3)cc2)cc1
InChIInChI=1S/C22H26O6/c1-25-17-7-3-15(4-8-17)21(23)27-19-11-13-20(14-12-19)28-22(24)16-5-9-18(26-2)10-6-16/h3-4,7-8,11-14,16,18,21,23H,5-6,9-10H2,1-2H3
InChIKeyBPULUNDOYDBWOS-UHFFFAOYSA-N
XLogP3.88
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(4-methoxycyclohexanecarbonyl)oxycyclohexanecarbonyl]oxyphenyl] 4-methoxybenzoate
CID 163885438
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
(4-methoxyphenyl) 4-[4-(dihydroxymethyl)cyclohexanecarbonyl]oxybenzoate
CID 134467382
4-O-(4-methoxycarbonyloxyphenyl) 1-O-phenyl cyclohexane-1,4-dicarboxylate
CID 144731542
[(2S)-2-methylbutyl] 4-[4-(4-methoxycyclohexanecarbonyl)oxyphenyl]benzoate
CID 70387000
ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
[4-[(E)-3-nitro-3-oxoprop-1-enyl]phenyl] 4-methoxycyclohexane-1-carboxylate
CID 129147098
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641
4-O-[7-[4-(4-methoxyphenoxy)carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-4-yl] 1-O-(4-methoxyphenyl) cyclohexane-1,4-dicarboxylate
CID 153465446
(4-methoxyphenyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate
CID 23334967
(2S)-N-(4-methoxycyclohexyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 163313623
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
CID 60592496

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate?
The IUPAC name of [4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate (CID 163462511) is [4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate.
What is the SMILES notation for [4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate?
The canonical SMILES for [4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate is COc1ccc(C(O)Oc2ccc(OC(=O)C3CCC(OC)CC3)cc2)cc1.
What is the InChIKey of [4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate?
The InChIKey is BPULUNDOYDBWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-25-17-7-3-15(4-8-17)21(23)27-19-11-13-20(14-12-19)28-22(24)16-5-9-18(26-2)10-6-16/h3-4,7-8,11-14,16,18,21,23H,5-6,9-10H2,1-2H3.
What are the key properties of [4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate?
[4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate has a molecular weight of 386.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy-(4-methoxyphenyl)methoxy]phenyl] 4-methoxycyclohexane-1-carboxylate is sourced from PubChem (CID 163462511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).