3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine

C20H19NO2 — CID 71588450

IUPAC3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine
SMILESCCOc1ccccc1N1COc2c(ccc3ccccc23)C1
InChIInChI=1S/C20H19NO2/c1-2-22-19-10-6-5-9-18(19)21-13-16-12-11-15-7-3-4-8-17(15)20(16)23-14-21/h3-12H,2,13-14H2,1H3
InChIKeyUJOOXDJZXVVEKY-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.59
Rot. Bonds3

About 3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine

3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine (PubChem CID 71588450) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine
PubChem CID71588450
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine
SMILESCCOc1ccccc1N1COc2c(ccc3ccccc23)C1
InChIInChI=1S/C20H19NO2/c1-2-22-19-10-6-5-9-18(19)21-13-16-12-11-15-7-3-4-8-17(15)20(16)23-14-21/h3-12H,2,13-14H2,1H3
InChIKeyUJOOXDJZXVVEKY-UHFFFAOYSA-N
XLogP4.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Naftopidil
CID 4418
Naftopidil Dihydrochloride
CID 11957660
1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
1-((2,6-Dimethylphenoxy)propyl)-4-(2-methoxyphenyl)piperazine hydrochloride
CID 54598062
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10475634
Naftopidil, (R)-
CID 6603939
4-(3-(1,2-Dihydro-8-methoxynaphthalen-4-yl)-n-propyl)-1-(2-pyridyl)piperazine
CID 192639
3-Naphthyloxy-1-(4-phenylpiperazinyl)propan-2-ol
CID 260310
1-(2-Methoxy-phenyl)-4-[4-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-piperazine
CID 10070045
1-(2-Methoxy-phenyl)-4-[3-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10092041
1-(2-Methoxy-phenyl)-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10715665
2-Naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 685759

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine?
The IUPAC name of 3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine (CID 71588450) is 3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine.
What is the SMILES notation for 3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine?
The canonical SMILES for 3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine is CCOc1ccccc1N1COc2c(ccc3ccccc23)C1.
What is the InChIKey of 3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine?
The InChIKey is UJOOXDJZXVVEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-2-22-19-10-6-5-9-18(19)21-13-16-12-11-15-7-3-4-8-17(15)20(16)23-14-21/h3-12H,2,13-14H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine?
3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine has a molecular weight of 305.38 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine is sourced from PubChem (CID 71588450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).