[(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone

C19H20O4 — CID 12504152

IUPAC[(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
SMILESCOc1ccc([C@H]2OC(C)(C)O[C@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O4/c1-19(2)22-17(14-9-11-15(21-3)12-10-14)18(23-19)16(20)13-7-5-4-6-8-13/h4-12,17-18H,1-3H3/t17-,18+/m1/s1
InChIKeyACTBSHZQPFCBEQ-MSOLQXFVSA-N
MW312.37 g/mol
LogP3.77
Rot. Bonds4

About [(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone

[(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone (PubChem CID 12504152) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is [(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
PubChem CID12504152
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name[(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
SMILESCOc1ccc([C@H]2OC(C)(C)O[C@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O4/c1-19(2)22-17(14-9-11-15(21-3)12-10-14)18(23-19)16(20)13-7-5-4-6-8-13/h4-12,17-18H,1-3H3/t17-,18+/m1/s1
InChIKeyACTBSHZQPFCBEQ-MSOLQXFVSA-N
XLogP3.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(4R,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 12023939
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
methyl (4S)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 59924048
methyl (4R,5S)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10635449
4-benzoyl-5-(4-methoxyphenyl)-1,3-dioxolan-2-one
CID 152983989
[(4R,5R)-2,2-dimethyl-5-(3-phenylpropyl)-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methanone
CID 11824393
4-(4-methoxyphenyl)-2,2,5-trimethyl-1,3-dioxolane
CID 56986398
[(2R,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-(4-methylphenyl)methanone
CID 2421215
(4-methoxyphenyl)-[3-(4-methylphenyl)oxiran-2-yl]methanone
CID 14784200
[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
CID 135504692
[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
CID 7371850
[(2S,3R)-3-(3-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 102325705

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone?
The IUPAC name of [(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone (CID 12504152) is [(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone.
What is the SMILES notation for [(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone?
The canonical SMILES for [(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone is COc1ccc([C@H]2OC(C)(C)O[C@H]2C(=O)c2ccccc2)cc1.
What is the InChIKey of [(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone?
The InChIKey is ACTBSHZQPFCBEQ-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H20O4/c1-19(2)22-17(14-9-11-15(21-3)12-10-14)18(23-19)16(20)13-7-5-4-6-8-13/h4-12,17-18H,1-3H3/t17-,18+/m1/s1.
What are the key properties of [(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone?
[(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone has a molecular weight of 312.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone is sourced from PubChem (CID 12504152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).