(2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone

C43H52O6 — CID 121256282

IUPAC(2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone
SMILESCCCCCC1CCC(c2ccc(-c3ccc(OCCCCCCOc4ccc(C(=O)c5ccc(OC)cc5O)c(O)c4)cc3)cc2)CC1
InChIInChI=1S/C43H52O6/c1-3-4-7-10-31-11-13-32(14-12-31)33-15-17-34(18-16-33)35-19-21-36(22-20-35)48-27-8-5-6-9-28-49-38-24-26-40(42(45)30-38)43(46)39-25-23-37(47-2)29-41(39)44/h15-26,29-32,44-45H,3-14,27-28H2,1-2H3
InChIKeyPMEAVYRLBHQVNO-UHFFFAOYSA-N
MW664.88 g/mol
LogP10.88
Rot. Bonds18

About (2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone

(2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone (PubChem CID 121256282) has the molecular formula C43H52O6 and a molecular weight of 664.88 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone.

Molecular Properties

Compound Name(2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone
PubChem CID121256282
Molecular FormulaC43H52O6
Molecular Weight664.88 g/mol
Exact Mass664.38
IUPAC Name(2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone
SMILESCCCCCC1CCC(c2ccc(-c3ccc(OCCCCCCOc4ccc(C(=O)c5ccc(OC)cc5O)c(O)c4)cc3)cc2)CC1
InChIInChI=1S/C43H52O6/c1-3-4-7-10-31-11-13-32(14-12-31)33-15-17-34(18-16-33)35-19-21-36(22-20-35)48-27-8-5-6-9-28-49-38-24-26-40(42(45)30-38)43(46)39-25-23-37(47-2)29-41(39)44/h15-26,29-32,44-45H,3-14,27-28H2,1-2H3
InChIKeyPMEAVYRLBHQVNO-UHFFFAOYSA-N
XLogP10.88
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.88
LogP ≤ 510.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone with MolForge

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Related Compounds

1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
1-methoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539339
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol
CID 154928109
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene
CID 59265311
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone?
The IUPAC name of (2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone (CID 121256282) is (2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone.
What is the SMILES notation for (2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone?
The canonical SMILES for (2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone is CCCCCC1CCC(c2ccc(-c3ccc(OCCCCCCOc4ccc(C(=O)c5ccc(OC)cc5O)c(O)c4)cc3)cc2)CC1.
What is the InChIKey of (2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone?
The InChIKey is PMEAVYRLBHQVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52O6/c1-3-4-7-10-31-11-13-32(14-12-31)33-15-17-34(18-16-33)35-19-21-36(22-20-35)48-27-8-5-6-9-28-49-38-24-26-40(42(45)30-38)43(46)39-25-23-37(47-2)29-41(39)44/h15-26,29-32,44-45H,3-14,27-28H2,1-2H3.
What are the key properties of (2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone?
(2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone has a molecular weight of 664.88 g/mol, XLogP of 10.88, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxyphenyl)-[2-hydroxy-4-[6-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]hexoxy]phenyl]methanone is sourced from PubChem (CID 121256282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).