ethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol

C28H34O2 — CID 167478950

IUPACethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol
SMILESCC.CC.CCc1ccc(C2Oc3ccccc3C(C)=C2c2ccc(O)cc2)cc1
InChIInChI=1S/C24H22O2.2C2H6/c1-3-17-8-10-19(11-9-17)24-23(18-12-14-20(25)15-13-18)16(2)21-6-4-5-7-22(21)26-24;2*1-2/h4-15,24-25H,3H2,1-2H3;2*1-2H3
InChIKeyDFKWSVVBTWUIDK-UHFFFAOYSA-N
MW402.58 g/mol
LogP8.07
Rot. Bonds3

About ethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol

ethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol (PubChem CID 167478950) has the molecular formula C28H34O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is ethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol.

Molecular Properties

Compound Nameethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol
PubChem CID167478950
Molecular FormulaC28H34O2
Molecular Weight402.58 g/mol
Exact Mass402.26
IUPAC Nameethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol
SMILESCC.CC.CCc1ccc(C2Oc3ccccc3C(C)=C2c2ccc(O)cc2)cc1
InChIInChI=1S/C24H22O2.2C2H6/c1-3-17-8-10-19(11-9-17)24-23(18-12-14-20(25)15-13-18)16(2)21-6-4-5-7-22(21)26-24;2*1-2/h4-15,24-25H,3H2,1-2H3;2*1-2H3
InChIKeyDFKWSVVBTWUIDK-UHFFFAOYSA-N
XLogP8.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol?
The IUPAC name of ethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol (CID 167478950) is ethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol.
What is the SMILES notation for ethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol?
The canonical SMILES for ethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol is CC.CC.CCc1ccc(C2Oc3ccccc3C(C)=C2c2ccc(O)cc2)cc1.
What is the InChIKey of ethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol?
The InChIKey is DFKWSVVBTWUIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2.2C2H6/c1-3-17-8-10-19(11-9-17)24-23(18-12-14-20(25)15-13-18)16(2)21-6-4-5-7-22(21)26-24;2*1-2/h4-15,24-25H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol?
ethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol has a molecular weight of 402.58 g/mol, XLogP of 8.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-(4-ethylphenyl)-4-methyl-2H-chromen-3-yl]phenol is sourced from PubChem (CID 167478950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).