ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene

C23H30O3 — CID 145102650

IUPACethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene
SMILESC=CC.CC.COc1cc(C2=C(C)c3cc(O)ccc3OC2)ccc1C
InChIInChI=1S/C18H18O3.C3H6.C2H6/c1-11-4-5-13(8-18(11)20-3)16-10-21-17-7-6-14(19)9-15(17)12(16)2;1-3-2;1-2/h4-9,19H,10H2,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyCMCPRSMLQQPNBX-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.25
Rot. Bonds2

About ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene

ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene (PubChem CID 145102650) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene.

Molecular Properties

Compound Nameethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene
PubChem CID145102650
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Nameethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene
SMILESC=CC.CC.COc1cc(C2=C(C)c3cc(O)ccc3OC2)ccc1C
InChIInChI=1S/C18H18O3.C3H6.C2H6/c1-11-4-5-13(8-18(11)20-3)16-10-21-17-7-6-14(19)9-15(17)12(16)2;1-3-2;1-2/h4-9,19H,10H2,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyCMCPRSMLQQPNBX-UHFFFAOYSA-N
XLogP6.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene?
The IUPAC name of ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene (CID 145102650) is ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene.
What is the SMILES notation for ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene?
The canonical SMILES for ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene is C=CC.CC.COc1cc(C2=C(C)c3cc(O)ccc3OC2)ccc1C.
What is the InChIKey of ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene?
The InChIKey is CMCPRSMLQQPNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3.C3H6.C2H6/c1-11-4-5-13(8-18(11)20-3)16-10-21-17-7-6-14(19)9-15(17)12(16)2;1-3-2;1-2/h4-9,19H,10H2,1-3H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene?
ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene has a molecular weight of 354.49 g/mol, XLogP of 6.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene is sourced from PubChem (CID 145102650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).