[3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone

C23H20O4 — CID 71113242

IUPAC[3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(OCc2ccc(C3OCCO3)cc2)c1
InChIInChI=1S/C23H20O4/c24-22(18-5-2-1-3-6-18)20-7-4-8-21(15-20)27-16-17-9-11-19(12-10-17)23-25-13-14-26-23/h1-12,15,23H,13-14,16H2
InChIKeyABLDTAQQJBOJNZ-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.54
Rot. Bonds6

About [3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone

[3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone (PubChem CID 71113242) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is [3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone
PubChem CID71113242
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name[3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(OCc2ccc(C3OCCO3)cc2)c1
InChIInChI=1S/C23H20O4/c24-22(18-5-2-1-3-6-18)20-7-4-8-21(15-20)27-16-17-9-11-19(12-10-17)23-25-13-14-26-23/h1-12,15,23H,13-14,16H2
InChIKeyABLDTAQQJBOJNZ-UHFFFAOYSA-N
XLogP4.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone
CID 24726701
[4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone
CID 151237326
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
furan-3-yl-(3-phenylmethoxyphenyl)methanone
CID 105099100
(3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
CID 24726716
(3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
CID 24726718
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 4565972
(4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7811036
4-[[4-(1,3-dioxolan-2-yl)phenoxy]methyl]benzonitrile
CID 19989628
(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone
CID 14903626
(3-hydroxy-5-phenylmethoxyphenyl)-phenylmethanone
CID 71119902

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone?
The IUPAC name of [3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone (CID 71113242) is [3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone?
The canonical SMILES for [3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1cccc(OCc2ccc(C3OCCO3)cc2)c1.
What is the InChIKey of [3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone?
The InChIKey is ABLDTAQQJBOJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c24-22(18-5-2-1-3-6-18)20-7-4-8-21(15-20)27-16-17-9-11-19(12-10-17)23-25-13-14-26-23/h1-12,15,23H,13-14,16H2.
What are the key properties of [3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone?
[3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone has a molecular weight of 360.41 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 71113242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).