8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one

C23H22O4 — CID 67715075

IUPAC8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(C=CCCC3OCCO3)cccc2c1=O
InChIInChI=1S/C23H22O4/c1-16-21(24)19-12-7-11-18(10-5-6-13-20-25-14-15-26-20)23(19)27-22(16)17-8-3-2-4-9-17/h2-5,7-12,20H,6,13-15H2,1H3
InChIKeyQHTCDKIQEBNHEE-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.93
Rot. Bonds5

About 8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one

8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one (PubChem CID 67715075) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one
PubChem CID67715075
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(C=CCCC3OCCO3)cccc2c1=O
InChIInChI=1S/C23H22O4/c1-16-21(24)19-12-7-11-18(10-5-6-13-20-25-14-15-26-20)23(19)27-22(16)17-8-3-2-4-9-17/h2-5,7-12,20H,6,13-15H2,1H3
InChIKeyQHTCDKIQEBNHEE-UHFFFAOYSA-N
XLogP4.93
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one?
The IUPAC name of 8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one (CID 67715075) is 8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one?
The canonical SMILES for 8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one is Cc1c(-c2ccccc2)oc2c(C=CCCC3OCCO3)cccc2c1=O.
What is the InChIKey of 8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one?
The InChIKey is QHTCDKIQEBNHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-16-21(24)19-12-7-11-18(10-5-6-13-20-25-14-15-26-20)23(19)27-22(16)17-8-3-2-4-9-17/h2-5,7-12,20H,6,13-15H2,1H3.
What are the key properties of 8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one?
8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one has a molecular weight of 362.43 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 67715075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).