dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate

C35H34O6 — CID 67965844

IUPACdimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C(c2ccccc2)CC(c2ccc(O)cc2)(c2ccc(OC)cc2)CC1c1ccccc1
InChIInChI=1S/C35H34O6/c1-39-29-20-16-27(17-21-29)34(26-14-18-28(36)19-15-26)22-30(24-10-6-4-7-11-24)35(32(37)40-2,33(38)41-3)31(23-34)25-12-8-5-9-13-25/h4-21,30-31,36H,22-23H2,1-3H3
InChIKeyRTSDLKPJCQKIFN-UHFFFAOYSA-N
MW550.65 g/mol
LogP6.38
Rot. Bonds7

About dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate

dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate (PubChem CID 67965844) has the molecular formula C35H34O6 and a molecular weight of 550.65 g/mol. Its IUPAC name is dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate
PubChem CID67965844
Molecular FormulaC35H34O6
Molecular Weight550.65 g/mol
Exact Mass550.24
IUPAC Namedimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C(c2ccccc2)CC(c2ccc(O)cc2)(c2ccc(OC)cc2)CC1c1ccccc1
InChIInChI=1S/C35H34O6/c1-39-29-20-16-27(17-21-29)34(26-14-18-28(36)19-15-26)22-30(24-10-6-4-7-11-24)35(32(37)40-2,33(38)41-3)31(23-34)25-12-8-5-9-13-25/h4-21,30-31,36H,22-23H2,1-3H3
InChIKeyRTSDLKPJCQKIFN-UHFFFAOYSA-N
XLogP6.38
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.65
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

cis-(4-methoxyphenyl) (1S,2S)-1-amino-2-phenylcyclopropane-1-carboxylate
CID 135000493
trimethyl (1R,3S)-3-(4-methoxyphenyl)-3,4-dihydro-1H-anthracene-1,2,2-tricarboxylate
CID 139187578
trans-2,2,2-trichloroethyl (1S,2R)-1-(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 154715636
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102133366
methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate
CID 115040738
benzene-1,2-diol;4-methoxyphenol
CID 70292826
cis-dimethyl (2S,4S)-2-cyano-4-(4-methoxyphenyl)cyclobutane-1,1-dicarboxylate
CID 10357603
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
dimethyl 4-(4-methoxyphenyl)-2-phenylcyclopent-2-ene-1,1-dicarboxylate
CID 154707286
1-[(4-methoxyphenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216924

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate?
The IUPAC name of dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate (CID 67965844) is dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)C(c2ccccc2)CC(c2ccc(O)cc2)(c2ccc(OC)cc2)CC1c1ccccc1.
What is the InChIKey of dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate?
The InChIKey is RTSDLKPJCQKIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34O6/c1-39-29-20-16-27(17-21-29)34(26-14-18-28(36)19-15-26)22-30(24-10-6-4-7-11-24)35(32(37)40-2,33(38)41-3)31(23-34)25-12-8-5-9-13-25/h4-21,30-31,36H,22-23H2,1-3H3.
What are the key properties of dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate?
dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate has a molecular weight of 550.65 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate is sourced from PubChem (CID 67965844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).