diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol

C30H30O5 — CID 170853175

IUPACdiphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.O=C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H20O2.C13H10O3/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h5-10,18-19H,1-4H3;1-10H
InChIKeySIUPBZJEVRSKKM-UHFFFAOYSA-N
MW470.57 g/mol
LogP7.30
Rot. Bonds4

About diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol

diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol (PubChem CID 170853175) has the molecular formula C30H30O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol.

Molecular Properties

Compound Namediphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
PubChem CID170853175
Molecular FormulaC30H30O5
Molecular Weight470.57 g/mol
Exact Mass470.21
IUPAC Namediphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.O=C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H20O2.C13H10O3/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h5-10,18-19H,1-4H3;1-10H
InChIKeySIUPBZJEVRSKKM-UHFFFAOYSA-N
XLogP7.30
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The IUPAC name of diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol (CID 170853175) is diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol.
What is the SMILES notation for diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The canonical SMILES for diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol is Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.O=C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The InChIKey is SIUPBZJEVRSKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2.C13H10O3/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h5-10,18-19H,1-4H3;1-10H.
What are the key properties of diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol has a molecular weight of 470.57 g/mol, XLogP of 7.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol is sourced from PubChem (CID 170853175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).