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

C24H22O4 — CID 151237326

IUPAC[4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCc2ccc(CC3OCCO3)cc2)cc1
InChIInChI=1S/C24H22O4/c25-24(20-4-2-1-3-5-20)21-10-12-22(13-11-21)28-17-19-8-6-18(7-9-19)16-23-26-14-15-27-23/h1-13,23H,14-17H2
InChIKeyNPODGJBUHICAAT-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.41
Rot. Bonds7

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

[4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone (PubChem CID 151237326) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone
PubChem CID151237326
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name[4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCc2ccc(CC3OCCO3)cc2)cc1
InChIInChI=1S/C24H22O4/c25-24(20-4-2-1-3-5-20)21-10-12-22(13-11-21)28-17-19-8-6-18(7-9-19)16-23-26-14-15-27-23/h1-13,23H,14-17H2
InChIKeyNPODGJBUHICAAT-UHFFFAOYSA-N
XLogP4.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
[3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone
CID 71113242
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone
CID 58819189
[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
CID 87056027
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
4-phenylmethoxybenzoic acid
CID 68896574
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
[4-(hydroperoxymethyl)phenyl]-phenylmethanone
CID 140726155
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone (CID 151237326) is [4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(OCc2ccc(CC3OCCO3)cc2)cc1.
What is the InChIKey of [4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone?
The InChIKey is NPODGJBUHICAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c25-24(20-4-2-1-3-5-20)21-10-12-22(13-11-21)28-17-19-8-6-18(7-9-19)16-23-26-14-15-27-23/h1-13,23H,14-17H2.
What are the key properties of [4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone?
[4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone has a molecular weight of 374.44 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(1,3-dioxolan-2-ylmethyl)phenyl]methoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 151237326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).