3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol

C24H20O2 — CID 53373394

IUPAC3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol
SMILESC=C(C)c1ccc2c(c1)Oc1cc(/C=C/c3ccccc3)cc(O)c1C2
InChIInChI=1S/C24H20O2/c1-16(2)19-10-11-20-14-21-22(25)12-18(13-24(21)26-23(20)15-19)9-8-17-6-4-3-5-7-17/h3-13,15,25H,1,14H2,2H3/b9-8+
InChIKeyLJFVMXMQASRDIP-CMDGGOBGSA-N
MW340.42 g/mol
LogP6.29
Rot. Bonds3

About 3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol

3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol (PubChem CID 53373394) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol
PubChem CID53373394
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol
SMILESC=C(C)c1ccc2c(c1)Oc1cc(/C=C/c3ccccc3)cc(O)c1C2
InChIInChI=1S/C24H20O2/c1-16(2)19-10-11-20-14-21-22(25)12-18(13-24(21)26-23(20)15-19)9-8-17-6-4-3-5-7-17/h3-13,15,25H,1,14H2,2H3/b9-8+
InChIKeyLJFVMXMQASRDIP-CMDGGOBGSA-N
XLogP6.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 56.29
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 3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol?
The IUPAC name of 3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol (CID 53373394) is 3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol is C=C(C)c1ccc2c(c1)Oc1cc(/C=C/c3ccccc3)cc(O)c1C2.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol?
The InChIKey is LJFVMXMQASRDIP-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H20O2/c1-16(2)19-10-11-20-14-21-22(25)12-18(13-24(21)26-23(20)15-19)9-8-17-6-4-3-5-7-17/h3-13,15,25H,1,14H2,2H3/b9-8+.
What are the key properties of 3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol?
3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol has a molecular weight of 340.42 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol is sourced from PubChem (CID 53373394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).