hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol

C41H52O4 — CID 159142492

IUPAChexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol
SMILESCCCCCCCCCCCCCCCC(=O)O.Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C25H20O2.C16H32O2/c26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1-18,26-27H;2-15H2,1H3,(H,17,18)
InChIKeyKIGLGKNHHIDAMV-UHFFFAOYSA-N
MW608.86 g/mol
LogP11.03
Rot. Bonds18

About hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol

hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol (PubChem CID 159142492) has the molecular formula C41H52O4 and a molecular weight of 608.86 g/mol. Its IUPAC name is hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol.

Molecular Properties

Compound Namehexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol
PubChem CID159142492
Molecular FormulaC41H52O4
Molecular Weight608.86 g/mol
Exact Mass608.39
IUPAC Namehexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol
SMILESCCCCCCCCCCCCCCCC(=O)O.Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C25H20O2.C16H32O2/c26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1-18,26-27H;2-15H2,1H3,(H,17,18)
InChIKeyKIGLGKNHHIDAMV-UHFFFAOYSA-N
XLogP11.03
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.86
LogP ≤ 511.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(tridecanoic acid)
CID 90370413
calcium;hydride;octadecanoic acid;phenol
CID 173411979
4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 139680457
4-aminophenol;dodecanoic acid
CID 157063847
octadecanoic acid;2-phenylpropan-2-amine;hydrochloride
CID 175449619
benzene;decanoic acid
CID 159351150
benzene;hexadecanoic acid
CID 162199490
4,4-bis(4-hydroxyphenyl)heptadecanoic acid
CID 68655548
benzene-1,3-diol;bis(heptadecanoic acid)
CID 159990234
benzene-1,3-diol;decanoic acid
CID 175490572
4-(2-bromoethenyl)phenol;dodecanoic acid
CID 174566779
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903

Frequently Asked Questions

What is the IUPAC name of hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol?
The IUPAC name of hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol (CID 159142492) is hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol.
What is the SMILES notation for hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol?
The canonical SMILES for hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol is CCCCCCCCCCCCCCCC(=O)O.Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol?
The InChIKey is KIGLGKNHHIDAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O2.C16H32O2/c26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1-18,26-27H;2-15H2,1H3,(H,17,18).
What are the key properties of hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol?
hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol has a molecular weight of 608.86 g/mol, XLogP of 11.03, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol is sourced from PubChem (CID 159142492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).