2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine

C19H23NO3 — CID 70191865

IUPAC2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine
SMILESCOc1ccc(-c2c(OC)cccc2C2NC(C)(C)CO2)cc1
InChIInChI=1S/C19H23NO3/c1-19(2)12-23-18(20-19)15-6-5-7-16(22-4)17(15)13-8-10-14(21-3)11-9-13/h5-11,18,20H,12H2,1-4H3
InChIKeyHPCMYKLKHKWZNV-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.77
Rot. Bonds4

About 2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine

2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine (PubChem CID 70191865) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine
PubChem CID70191865
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine
SMILESCOc1ccc(-c2c(OC)cccc2C2NC(C)(C)CO2)cc1
InChIInChI=1S/C19H23NO3/c1-19(2)12-23-18(20-19)15-6-5-7-16(22-4)17(15)13-8-10-14(21-3)11-9-13/h5-11,18,20H,12H2,1-4H3
InChIKeyHPCMYKLKHKWZNV-UHFFFAOYSA-N
XLogP3.77
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 82112973
2-(2-ethoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 82114526
8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine
CID 43174723
2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride
CID 141261152
2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine
CID 82305740
5-(4-methoxy-2,3-dimethylphenyl)-3,3-dimethylmorpholine
CID 82297113
4-methoxy-3-(4-methoxyphenyl)-2-methyl-1H-indole
CID 13415856
3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride
CID 117228463
(2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane
CID 139093397
(3R,4S)-4-bromo-8-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10248122
(3aS,9bR)-6-methoxy-3a,5-dimethyl-2,9b-dihydro-1H-cyclopenta[a]naphthalen-3-one
CID 10586259
8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
CID 115095090

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine?
The IUPAC name of 2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine (CID 70191865) is 2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine is COc1ccc(-c2c(OC)cccc2C2NC(C)(C)CO2)cc1.
What is the InChIKey of 2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine?
The InChIKey is HPCMYKLKHKWZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-19(2)12-23-18(20-19)15-6-5-7-16(22-4)17(15)13-8-10-14(21-3)11-9-13/h5-11,18,20H,12H2,1-4H3.
What are the key properties of 2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine?
2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine has a molecular weight of 313.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 70191865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).